1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline

C47H31N3 — CID 166569146

IUPAC1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6nc(-c7ccccc7)cc(-c7ccccc7)c6c5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C47H31N3/c1-5-13-32(14-6-1)33-21-24-37(25-22-33)44-31-45(50-47(49-44)38-19-11-4-12-20-38)39-26-23-35-27-28-42-46(40(35)29-39)41(34-15-7-2-8-16-34)30-43(48-42)36-17-9-3-10-18-36/h1-31H
InChIKeyROWGGNCDZGJGAV-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline

1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline (PubChem CID 166569146) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline.

Molecular Properties

Compound Name1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
PubChem CID166569146
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5ccc6nc(-c7ccccc7)cc(-c7ccccc7)c6c5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C47H31N3/c1-5-13-32(14-6-1)33-21-24-37(25-22-33)44-31-45(50-47(49-44)38-19-11-4-12-20-38)39-26-23-35-27-28-42-46(40(35)29-39)41(34-15-7-2-8-16-34)30-43(48-42)36-17-9-3-10-18-36/h1-31H
InChIKeyROWGGNCDZGJGAV-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
1,3-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166568642
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568788
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568654
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
8-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568890
1-phenyl-8-[4-[3-[4-[4-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 138643638
1,3-diphenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 166568942
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568855
1-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138644120
9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568862

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline?
The IUPAC name of 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline (CID 166569146) is 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline.
What is the SMILES notation for 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline?
The canonical SMILES for 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc5ccc6nc(-c7ccccc7)cc(-c7ccccc7)c6c5c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline?
The InChIKey is ROWGGNCDZGJGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-5-13-32(14-6-1)33-21-24-37(25-22-33)44-31-45(50-47(49-44)38-19-11-4-12-20-38)39-26-23-35-27-28-42-46(40(35)29-39)41(34-15-7-2-8-16-34)30-43(48-42)36-17-9-3-10-18-36/h1-31H.
What are the key properties of 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline?
1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline is sourced from PubChem (CID 166569146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).