2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline

C118H75N9S — CID 158292757

About 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline

2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline (PubChem CID 158292757) has the molecular formula C118H75N9S and a molecular weight of 1651.03 g/mol. Its IUPAC name is 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
• PubChem CID: 158292757
• Molecular Formula: C118H75N9S
• Molecular Weight: 1651.03 g/mol
• Exact Mass: 1649.59
• IUPAC Name: 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)cc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)cc3)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)cc3)nc3ccccc32)cc1
• InChI: InChI=1S/C41H25N3S.C39H25N3.C38H25N3/c1-2-10-27(11-3-1)38-40-39(34-17-6-7-18-36(34)45-40)44-41(43-38)28-21-19-26(20-22-28)29-12-8-13-30(24-29)35-25-31-14-9-23-42-37(31)33-16-5-4-15-32(33)35;1-2-10-27(11-3-1)38-34-17-6-7-18-36(34)41-39(42-38)28-21-19-26(20-22-28)29-12-8-13-30(24-29)35-25-31-14-9-23-40-37(31)33-16-5-4-15-32(33)35;1-2-13-31(14-3-1)41-36-18-7-6-17-35(36)40-38(41)27-21-19-26(20-22-27)28-10-8-11-29(24-28)34-25-30-12-9-23-39-37(30)33-16-5-4-15-32(33)34/h1-25H;1-25H;1-25H
• InChIKey: GLOBWQRGGPWERZ-UHFFFAOYSA-N
• XLogP: 30.94
• TPSA: 108.05 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1651.03
LogP ≤ 5	30.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

The IUPAC name of 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline (CID 158292757) is 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline.

What is the SMILES notation for 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

The canonical SMILES for 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)cc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)cc3)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-c4cccc(-c5cc6cccnc6c6ccccc56)c4)cc3)nc3ccccc32)cc1.

What is the InChIKey of 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

The InChIKey is GLOBWQRGGPWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3S.C39H25N3.C38H25N3/c1-2-10-27(11-3-1)38-40-39(34-17-6-7-18-36(34)45-40)44-41(43-38)28-21-19-26(20-22-28)29-12-8-13-30(24-29)35-25-31-14-9-23-42-37(31)33-16-5-4-15-32(33)35;1-2-10-27(11-3-1)38-34-17-6-7-18-36(34)41-39(42-38)28-21-19-26(20-22-28)29-12-8-13-30(24-29)35-25-31-14-9-23-40-37(31)33-16-5-4-15-32(33)35;1-2-13-31(14-3-1)41-36-18-7-6-17-35(36)40-38(41)27-21-19-26(20-22-27)28-10-8-11-29(24-28)34-25-30-12-9-23-39-37(30)33-16-5-4-15-32(33)34/h1-25H;1-25H;1-25H.

What are the key properties of 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline?

2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline has a molecular weight of 1651.03 g/mol, XLogP of 30.94, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-benzo[h]quinolin-6-ylphenyl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;6-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline;6-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 158292757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).