9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene

C72H48O2P2 — CID 163479124

IUPAC9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3c4ccccc4cc4ccccc34)cccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2c(-c3c4ccccc4cc4ccccc34)cccc12
InChIInChI=1S/C72H48O2P2/c73-75(53-27-5-1-6-28-53,54-29-7-2-8-30-54)67-45-43-61-63(69-57-35-17-13-23-49(57)47-50-24-14-18-36-58(50)69)39-21-41-65(61)71(67)72-66-42-22-40-64(70-59-37-19-15-25-51(59)48-52-26-16-20-38-60(52)70)62(66)44-46-68(72)76(74,55-31-9-3-10-32-55)56-33-11-4-12-34-56/h1-48H
InChIKeyCCZUEVPZINRVQN-UHFFFAOYSA-N
MW1007.12 g/mol
LogP16.89
Rot. Bonds9

About 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene

9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene (PubChem CID 163479124) has the molecular formula C72H48O2P2 and a molecular weight of 1007.12 g/mol. Its IUPAC name is 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
PubChem CID163479124
Molecular FormulaC72H48O2P2
Molecular Weight1007.12 g/mol
Exact Mass1006.31
IUPAC Name9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3c4ccccc4cc4ccccc34)cccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2c(-c3c4ccccc4cc4ccccc34)cccc12
InChIInChI=1S/C72H48O2P2/c73-75(53-27-5-1-6-28-53,54-29-7-2-8-30-54)67-45-43-61-63(69-57-35-17-13-23-49(57)47-50-24-14-18-36-58(50)69)39-21-41-65(61)71(67)72-66-42-22-40-64(70-59-37-19-15-25-51(59)48-52-26-16-20-38-60(52)70)62(66)44-46-68(72)76(74,55-31-9-3-10-32-55)56-33-11-4-12-34-56/h1-48H
InChIKeyCCZUEVPZINRVQN-UHFFFAOYSA-N
XLogP16.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.12
LogP ≤ 516.89
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

1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanol
CID 54257520
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-ethylnaphthalene
CID 11754993
1-diphenylphosphorylnaphthalene
CID 11023927
9,10-di(anthracen-1-yl)anthracene
CID 58645093
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
4-bromo-1-(4-bromo-2-diphenylphosphorylnaphthalen-1-yl)-2-diphenylphosphorylnaphthalene
CID 10819193
1-(2-diphenylphosphorylnaphthalen-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)naphthalene
CID 139840135
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
1-(2-diphenylphosphorylnaphthalen-1-yl)isoquinoline
CID 54170219
1,10-dinaphthalen-1-ylanthracene
CID 58645117

Frequently Asked Questions

What is the IUPAC name of 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene?
The IUPAC name of 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene (CID 163479124) is 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene.
What is the SMILES notation for 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene?
The canonical SMILES for 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene is O=P(c1ccccc1)(c1ccccc1)c1ccc2c(-c3c4ccccc4cc4ccccc34)cccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2c(-c3c4ccccc4cc4ccccc34)cccc12.
What is the InChIKey of 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene?
The InChIKey is CCZUEVPZINRVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48O2P2/c73-75(53-27-5-1-6-28-53,54-29-7-2-8-30-54)67-45-43-61-63(69-57-35-17-13-23-49(57)47-50-24-14-18-36-58(50)69)39-21-41-65(61)71(67)72-66-42-22-40-64(70-59-37-19-15-25-51(59)48-52-26-16-20-38-60(52)70)62(66)44-46-68(72)76(74,55-31-9-3-10-32-55)56-33-11-4-12-34-56/h1-48H.
What are the key properties of 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene?
9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene has a molecular weight of 1007.12 g/mol, XLogP of 16.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(5-anthracen-9-yl-2-diphenylphosphorylnaphthalen-1-yl)-6-diphenylphosphorylnaphthalen-1-yl]anthracene is sourced from PubChem (CID 163479124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).