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

C112H72N6 — CID 138643638

About 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

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 (PubChem CID 138643638) has the molecular formula C112H72N6 and a molecular weight of 1501.85 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 138643638
• Molecular Formula: C112H72N6
• Molecular Weight: 1501.85 g/mol
• Exact Mass: 1500.58
• IUPAC Name: 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
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c7c(ccc8cc(-c9ccc(-c%10cccc(-c%11nc(-c%12ccc(-c%13cccc(-c%14cc(-c%15ccccc%15)c%15c(ccc%16ccccc%16%15)n%14)c%13)cc%12)cc(-c%12cccc(-c%13ccccc%13)c%12)n%11)c%10)cc9)ccc87)n6)c5)cc4)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C112H72N6/c1-6-23-73(24-7-1)85-34-18-41-94(64-85)107-71-105(115-111(117-107)84-32-14-5-15-33-84)82-53-49-76(50-54-82)88-37-21-40-93(67-88)104-70-100(80-29-12-4-13-30-80)110-98-60-57-90(63-91(98)59-62-102(110)114-104)78-47-45-75(46-48-78)89-38-22-43-96(68-89)112-116-106(72-108(118-112)95-42-19-35-86(65-95)74-25-8-2-9-26-74)83-55-51-77(52-56-83)87-36-20-39-92(66-87)103-69-99(79-27-10-3-11-28-79)109-97-44-17-16-31-81(97)58-61-101(109)113-103/h1-72H
• InChIKey: HUHASCKEFQNTHL-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1501.85
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc(-c6cc(-c7ccccc7)c7c(ccc8cc(-c9ccc(-c%10cccc(-c%11nc(-c%12ccc(-c%13cccc(-c%14cc(-c%15ccccc%15)c%15c(ccc%16ccccc%16%15)n%14)c%13)cc%12)cc(-c%12cccc(-c%13ccccc%13)c%12)n%11)c%10)cc9)ccc87)n6)c5)cc4)nc(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 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?

The InChIKey is HUHASCKEFQNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H72N6/c1-6-23-73(24-7-1)85-34-18-41-94(64-85)107-71-105(115-111(117-107)84-32-14-5-15-33-84)82-53-49-76(50-54-82)88-37-21-40-93(67-88)104-70-100(80-29-12-4-13-30-80)110-98-60-57-90(63-91(98)59-62-102(110)114-104)78-47-45-75(46-48-78)89-38-22-43-96(68-89)112-116-106(72-108(118-112)95-42-19-35-86(65-95)74-25-8-2-9-26-74)83-55-51-77(52-56-83)87-36-20-39-92(66-87)103-69-99(79-27-10-3-11-28-79)109-97-44-17-16-31-81(97)58-61-101(109)113-103/h1-72H.

What are the key properties of 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?

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 has a molecular weight of 1501.85 g/mol, XLogP of 29.34, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 138643638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).