8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline

C37H26NOP — CID 155556923

IUPAC8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C37H26NOP/c39-40(31-17-6-2-7-18-31,32-19-8-3-9-20-32)36-22-12-21-33-34(28-14-4-1-5-15-28)26-35(38-37(33)36)30-24-23-27-13-10-11-16-29(27)25-30/h1-26H
InChIKeyXCZKXDIIXRGEQX-UHFFFAOYSA-N
MW531.60 g/mol
LogP8.36
Rot. Bonds5

About 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline

8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline (PubChem CID 155556923) has the molecular formula C37H26NOP and a molecular weight of 531.60 g/mol. Its IUPAC name is 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline.

Molecular Properties

Compound Name8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline
PubChem CID155556923
Molecular FormulaC37H26NOP
Molecular Weight531.60 g/mol
Exact Mass531.18
IUPAC Name8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc12
InChIInChI=1S/C37H26NOP/c39-40(31-17-6-2-7-18-31,32-19-8-3-9-20-32)36-22-12-21-33-34(28-14-4-1-5-15-28)26-35(38-37(33)36)30-24-23-27-13-10-11-16-29(27)25-30/h1-26H
InChIKeyXCZKXDIIXRGEQX-UHFFFAOYSA-N
XLogP8.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.60
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline?
The IUPAC name of 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline (CID 155556923) is 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline.
What is the SMILES notation for 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline?
The canonical SMILES for 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline is O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc12.
What is the InChIKey of 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline?
The InChIKey is XCZKXDIIXRGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26NOP/c39-40(31-17-6-2-7-18-31,32-19-8-3-9-20-32)36-22-12-21-33-34(28-14-4-1-5-15-28)26-35(38-37(33)36)30-24-23-27-13-10-11-16-29(27)25-30/h1-26H.
What are the key properties of 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline?
8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline has a molecular weight of 531.60 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diphenylphosphoryl-2-naphthalen-2-yl-4-phenylquinoline is sourced from PubChem (CID 155556923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).