Structure

SPPO13

CAS
1234510-13-4
Catalog Number
ACM1234510134-1
Category
Organic Light Emitting Diode (OLED)
Molecular Weight
716.74 g/mol
Molecular Formula
C49H34O2P2

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Specification

Description
OLED phosphorescent host material.
Synonyms
2,7-Bis(diphenylphosphoryl)-9,9'-spirobifluorene
IUPAC Name
2',7'-bis(diphenylphosphoryl)-9,9'-spirobi[fluorene]
Canonical SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)P(=O)(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C49H34O2P2/c50-52(35-17-5-1-6-18-35,36-19-7-2-8-20-36)39-29-31-43-44-32-30-40(53(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)49(47(43)33-39)45-27-15-13-25-41(45)42-26-14-16-28-46(42)49/h1-34H
InChI Key
QZSXXAOHMOQXAZ-UHFFFAOYSA-N
Storage
room temp
Complexity
1200
Covalently-Bonded Unit Count
1
Exact Mass
716.203404g/mol
Formal Charge
0
Grade
Sublimed >99%
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
53
Monoisotopic Mass
716.203404g/mol
PL Peak
373 nm (in CH2Cl2)
Rotatable Bond Count
6
TGA
>330 ℃ (0.5% weight loss)
UV Peak
282 nm (in CH2Cl2)
XLogP3
10.6
What is the molecular formula of SPPO13?

The molecular formula of SPPO13 is C49H34O2P2.

What is the molecular weight of SPPO13?

The molecular weight of SPPO13 is 716.7 g/mol.

When was SPPO13 created?

SPPO13 was created on February 13, 2015.

When was SPPO13 last modified?

SPPO13 was last modified on December 30, 2023.

What is the IUPAC name of SPPO13?

The IUPAC name of SPPO13 is 2',7'-bis(diphenylphosphoryl)-9,9'-spirobi[fluorene].

What is the InChI of SPPO13?

The InChI of SPPO13 is InChI=1S/C49H34O2P2/c50-52(35-17-5-1-6-18-35,36-19-7-2-8-20-36)39-29-31-43-44-32-30-40(53(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)49(47(43)33-39)45-27-15-13-25-41(45)42-26-14-16-28-46(42)49/h1-34H.

What is the InChIKey of SPPO13?

The InChIKey of SPPO13 is QZSXXAOHMOQXAZ-UHFFFAOYSA-N.

What is the Canonical SMILES of SPPO13?

The Canonical SMILES of SPPO13 is C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)P(=O)(C9=CC=CC=C9)C1=CC=CC=C1.

How many hydrogen bond donors are there in SPPO13?

There are 0 hydrogen bond donors in SPPO13.

How many hydrogen bond acceptors are there in SPPO13?

There are 2 hydrogen bond acceptors in SPPO13.

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