[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane

C52H35P — CID 170194459

IUPAC[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C52H35P/c1-3-17-44(18-4-1)53(45-19-5-2-6-20-45)46-30-27-38(28-31-46)41-29-32-49-50(35-41)52(43-26-24-37-14-8-10-16-40(37)34-43)48-22-12-11-21-47(48)51(49)42-25-23-36-13-7-9-15-39(36)33-42/h1-35H
InChIKeyQQENFPABOMGBKR-UHFFFAOYSA-N
MW690.83 g/mol
LogP13.06
Rot. Bonds6

About [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane

[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane (PubChem CID 170194459) has the molecular formula C52H35P and a molecular weight of 690.83 g/mol. Its IUPAC name is [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane
PubChem CID170194459
Molecular FormulaC52H35P
Molecular Weight690.83 g/mol
Exact Mass690.25
IUPAC Name[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1
InChIInChI=1S/C52H35P/c1-3-17-44(18-4-1)53(45-19-5-2-6-20-45)46-30-27-38(28-31-46)41-29-32-49-50(35-41)52(43-26-24-37-14-8-10-16-40(37)34-43)48-22-12-11-21-47(48)51(49)42-25-23-36-13-7-9-15-39(36)33-42/h1-35H
InChIKeyQQENFPABOMGBKR-UHFFFAOYSA-N
XLogP13.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.83
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949

Frequently Asked Questions

What is the IUPAC name of [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane?
The IUPAC name of [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane (CID 170194459) is [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)cc1.
What is the InChIKey of [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane?
The InChIKey is QQENFPABOMGBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35P/c1-3-17-44(18-4-1)53(45-19-5-2-6-20-45)46-30-27-38(28-31-46)41-29-32-49-50(35-41)52(43-26-24-37-14-8-10-16-40(37)34-43)48-22-12-11-21-47(48)51(49)42-25-23-36-13-7-9-15-39(36)33-42/h1-35H.
What are the key properties of [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane?
[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane has a molecular weight of 690.83 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 170194459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).