9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene

C88H62O2P2 — CID 164967366

IUPAC9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4cc4ccccc34)c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)c2)c1
InChIInChI=1S/2C44H31OP/c45-46(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-26-24-33(25-27-41)37-29-36(32-14-4-1-5-15-32)30-38(31-37)44-42-22-12-10-16-34(42)28-35-17-11-13-23-43(35)44;45-46(39-18-3-1-4-19-39,40-20-5-2-6-21-40)41-22-12-17-36(31-41)35-16-11-15-34(29-35)32-25-27-33(28-26-32)44-42-23-9-7-13-37(42)30-38-14-8-10-24-43(38)44/h2*1-31H
InChIKeyCQSFWZCWURQQOC-UHFFFAOYSA-N
MW1213.41 g/mol
LogP21.27
Rot. Bonds12

About 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene

9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene (PubChem CID 164967366) has the molecular formula C88H62O2P2 and a molecular weight of 1213.41 g/mol. Its IUPAC name is 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
PubChem CID164967366
Molecular FormulaC88H62O2P2
Molecular Weight1213.41 g/mol
Exact Mass1212.42
IUPAC Name9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4cc4ccccc34)c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)c2)c1
InChIInChI=1S/2C44H31OP/c45-46(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-26-24-33(25-27-41)37-29-36(32-14-4-1-5-15-32)30-38(31-37)44-42-22-12-10-16-34(42)28-35-17-11-13-23-43(35)44;45-46(39-18-3-1-4-19-39,40-20-5-2-6-21-40)41-22-12-17-36(31-41)35-16-11-15-34(29-35)32-25-27-33(28-26-32)44-42-23-9-7-13-37(42)30-38-14-8-10-24-43(38)44/h2*1-31H
InChIKeyCQSFWZCWURQQOC-UHFFFAOYSA-N
XLogP21.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.41
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
9-(3-anthracen-9-yl-5-diphenylphosphorylphenyl)anthracene;9-[3-[(3-anthracen-9-ylphenyl)-phenylphosphoryl]phenyl]anthracene;9-(3-diphenylphosphorylphenyl)anthracene;2-(3-diphenylphosphorylphenyl)-9,10-dinaphthalen-2-ylanthracene;9-(3-diphenylphosphorylphenyl)-10-(4-phenylphenyl)anthracene;1-[3-(3-diphenylphosphorylphenyl)-5-pyren-1-ylphenyl]pyrene
CID 157310352
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227
9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene?
The IUPAC name of 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene (CID 164967366) is 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene.
What is the SMILES notation for 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene?
The canonical SMILES for 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4cc4ccccc34)c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)c2)c1.
What is the InChIKey of 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene?
The InChIKey is CQSFWZCWURQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H31OP/c45-46(39-18-6-2-7-19-39,40-20-8-3-9-21-40)41-26-24-33(25-27-41)37-29-36(32-14-4-1-5-15-32)30-38(31-37)44-42-22-12-10-16-34(42)28-35-17-11-13-23-43(35)44;45-46(39-18-3-1-4-19-39,40-20-5-2-6-21-40)41-22-12-17-36(31-41)35-16-11-15-34(29-35)32-25-27-33(28-26-32)44-42-23-9-7-13-37(42)30-38-14-8-10-24-43(38)44/h2*1-31H.
What are the key properties of 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene?
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene has a molecular weight of 1213.41 g/mol, XLogP of 21.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene is sourced from PubChem (CID 164967366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).