N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine

C66H47N3 — CID 145276983

About N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine

N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 145276983) has the molecular formula C66H47N3 and a molecular weight of 882.12 g/mol. Its IUPAC name is N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
• PubChem CID: 145276983
• Molecular Formula: C66H47N3
• Molecular Weight: 882.12 g/mol
• Exact Mass: 881.38
• IUPAC Name: N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
• SMILES: Cc1ccccc1-c1cc2c(ccc3c2c2cc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)ccc2n3-c2ccccc2)cc1C
• InChI: InChI=1S/C66H47N3/c1-44-17-12-13-26-56(44)59-43-60-50(39-45(59)2)32-38-64-66(60)61-41-49(31-37-63(61)68(64)52-22-8-4-9-23-52)48-19-16-18-47(40-48)46-29-33-54(34-30-46)67(51-20-6-3-7-21-51)55-35-36-58-57-27-14-15-28-62(57)69(65(58)42-55)53-24-10-5-11-25-53/h3-43H,1-2H3
• InChIKey: OSLCQQDVUHIMQK-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.12
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?

The IUPAC name of N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine (CID 145276983) is N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine.

What is the SMILES notation for N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?

The canonical SMILES for N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine is Cc1ccccc1-c1cc2c(ccc3c2c2cc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)c4)ccc2n3-c2ccccc2)cc1C.

What is the InChIKey of N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?

The InChIKey is OSLCQQDVUHIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3/c1-44-17-12-13-26-56(44)59-43-60-50(39-45(59)2)32-38-64-66(60)61-41-49(31-37-63(61)68(64)52-22-8-4-9-23-52)48-19-16-18-47(40-48)46-29-33-54(34-30-46)67(51-20-6-3-7-21-51)55-35-36-58-57-27-14-15-28-62(57)69(65(58)42-55)53-24-10-5-11-25-53/h3-43H,1-2H3.

What are the key properties of N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?

N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 882.12 g/mol, XLogP of 18.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 145276983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).