7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole

C63H46N4 — CID 134431911

About 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole

7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole (PubChem CID 134431911) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole
• PubChem CID: 134431911
• Molecular Formula: C63H46N4
• Molecular Weight: 859.09 g/mol
• Exact Mass: 858.37
• IUPAC Name: 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cccc(-c4nc(-c5ccc(C6=CCCC=C6)cc5)c5ccccc5n4)c3)ccc21
• InChI: InChI=1S/C63H46N4/c1-63(2)53-25-12-14-27-57(53)66(48-20-7-4-8-21-48)59-40-46(32-35-54(59)63)45-34-36-56-52(39-45)60-50-23-10-9-18-43(50)33-37-58(60)67(56)49-22-15-19-47(38-49)62-64-55-26-13-11-24-51(55)61(65-62)44-30-28-42(29-31-44)41-16-5-3-6-17-41/h4-5,7-40H,3,6H2,1-2H3
• InChIKey: ULGHGKJRRKSDPT-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.09
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole?

The IUPAC name of 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole (CID 134431911) is 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole.

What is the SMILES notation for 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole?

The canonical SMILES for 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccc4c(c3)c3c5ccccc5ccc3n4-c3cccc(-c4nc(-c5ccc(C6=CCCC=C6)cc5)c5ccccc5n4)c3)ccc21.

What is the InChIKey of 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole?

The InChIKey is ULGHGKJRRKSDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-63(2)53-25-12-14-27-57(53)66(48-20-7-4-8-21-48)59-40-46(32-35-54(59)63)45-34-36-56-52(39-45)60-50-23-10-9-18-43(50)33-37-58(60)67(56)49-22-15-19-47(38-49)62-64-55-26-13-11-24-51(55)61(65-62)44-30-28-42(29-31-44)41-16-5-3-6-17-41/h4-5,7-40H,3,6H2,1-2H3.

What are the key properties of 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole?

7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole has a molecular weight of 859.09 g/mol, XLogP of 16.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)quinazolin-2-yl]phenyl]-10-(9,9-dimethyl-10-phenylacridin-3-yl)benzo[c]carbazole is sourced from PubChem (CID 134431911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).