6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole

C176H121N9 — CID 157442291

About 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole

6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole (PubChem CID 157442291) has the molecular formula C176H121N9 and a molecular weight of 2361.97 g/mol. Its IUPAC name is 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole
• PubChem CID: 157442291
• Molecular Formula: C176H121N9
• Molecular Weight: 2361.97 g/mol
• Exact Mass: 2359.97
• IUPAC Name: 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole
• SMILES: CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(c1)c2c34.c1ccc2c(-c3ccc(-c4nc5ccccc5c5nc6ccccc6n45)cc3)c3ccccc3cc2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccncc6)cc5)ccc5ccc2c3c54)cc1
• InChI: InChI=1S/C49H36N2.C48H36N2.C45H28N2.C34H21N3/c1-49(2,3)37-26-34-21-23-41-43(32-19-17-31(18-20-32)36-11-9-25-50-30-36)29-44(42-24-22-35(27-37)47(34)48(41)42)33-10-8-12-38(28-33)51-45-15-6-4-13-39(45)40-14-5-7-16-46(40)51;1-48(2,3)40-28-38-19-21-41-43(35-13-11-32(12-14-35)31-7-9-33(10-8-31)34-23-26-49-27-24-34)30-44(42-22-20-39(29-40)46(38)47(41)42)36-15-17-37(18-16-36)45-6-4-5-25-50-45;1-3-7-42-38(5-1)39-6-2-4-8-43(39)47(42)35-19-13-32(14-20-35)37-22-16-34-17-23-40-36(21-15-33-18-24-41(37)45(34)44(33)40)31-11-9-29(10-12-31)30-25-27-46-28-26-30;1-3-11-26-24(9-1)21-25-10-2-4-12-27(25)32(26)22-17-19-23(20-18-22)33-35-29-14-6-5-13-28(29)34-36-30-15-7-8-16-31(30)37(33)34/h4-30H,1-3H3;4-30H,1-3H3;1-28H;1-21H
• InChIKey: BRURZGGNXFEXDF-UHFFFAOYSA-N
• XLogP: 47.13
• TPSA: 91.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2361.97
LogP ≤ 5	47.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole?

The IUPAC name of 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole (CID 157442291) is 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole.

What is the SMILES notation for 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole?

The canonical SMILES for 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole is CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc(-c6ccncc6)cc5)cc4)cc(-c4ccc(-c5ccccn5)cc4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccc(c1)c2c34.c1ccc2c(-c3ccc(-c4nc5ccccc5c5nc6ccccc6n45)cc3)c3ccccc3cc2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccncc6)cc5)ccc5ccc2c3c54)cc1.

What is the InChIKey of 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole?

The InChIKey is BRURZGGNXFEXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2.C48H36N2.C45H28N2.C34H21N3/c1-49(2,3)37-26-34-21-23-41-43(32-19-17-31(18-20-32)36-11-9-25-50-30-36)29-44(42-24-22-35(27-37)47(34)48(41)42)33-10-8-12-38(28-33)51-45-15-6-4-13-39(45)40-14-5-7-16-46(40)51;1-48(2,3)40-28-38-19-21-41-43(35-13-11-32(12-14-35)31-7-9-33(10-8-31)34-23-26-49-27-24-34)30-44(42-22-20-39(29-40)46(38)47(41)42)36-15-17-37(18-16-36)45-6-4-5-25-50-45;1-3-7-42-38(5-1)39-6-2-4-8-43(39)47(42)35-19-13-32(14-20-35)37-22-16-34-17-23-40-36(21-15-33-18-24-41(37)45(34)44(33)40)31-11-9-29(10-12-31)30-25-27-46-28-26-30;1-3-11-26-24(9-1)21-25-10-2-4-12-27(25)32(26)22-17-19-23(20-18-22)33-35-29-14-6-5-13-28(29)34-36-30-15-7-8-16-31(30)37(33)34/h4-30H,1-3H3;4-30H,1-3H3;1-28H;1-21H.

What are the key properties of 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole?

6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole has a molecular weight of 2361.97 g/mol, XLogP of 47.13, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-anthracen-9-ylphenyl)benzimidazolo[1,2-c]quinazoline;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;9-[3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]phenyl]carbazole is sourced from PubChem (CID 157442291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).