7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine

C59H45N3 — CID 145362184

About 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine

7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine (PubChem CID 145362184) has the molecular formula C59H45N3 and a molecular weight of 796.03 g/mol. Its IUPAC name is 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine.

Molecular Properties

• Compound Name: 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine
• PubChem CID: 145362184
• Molecular Formula: C59H45N3
• Molecular Weight: 796.03 g/mol
• Exact Mass: 795.36
• IUPAC Name: 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine
• SMILES: CC12CC=CC=C1c1c(cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3c1C=CCC3)N2c1ccc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C59H45N3/c1-59-38-18-17-29-52(59)58-50-28-12-11-26-48(50)56(40-57(58)62(59)46-36-37-55-51(39-46)49-27-14-16-31-54(49)60(55)44-23-9-4-10-24-44)61(45-34-32-42(33-35-45)41-19-5-2-6-20-41)53-30-15-13-25-47(53)43-21-7-3-8-22-43/h2-10,12-25,27-37,39-40H,11,26,38H2,1H3
• InChIKey: HFANERSNIWOIJR-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.03
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine?

The IUPAC name of 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine (CID 145362184) is 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine.

What is the SMILES notation for 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine?

The canonical SMILES for 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine is CC12CC=CC=C1c1c(cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c3c1C=CCC3)N2c1ccc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine?

The InChIKey is HFANERSNIWOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N3/c1-59-38-18-17-29-52(59)58-50-28-12-11-26-48(50)56(40-57(58)62(59)46-36-37-55-51(39-46)49-27-14-16-31-54(49)60(55)44-23-9-4-10-24-44)61(45-34-32-42(33-35-45)41-19-5-2-6-20-41)53-30-15-13-25-47(53)43-21-7-3-8-22-43/h2-10,12-25,27-37,39-40H,11,26,38H2,1H3.

What are the key properties of 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine?

7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine has a molecular weight of 796.03 g/mol, XLogP of 15.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7a-methyl-7-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-4,8-dihydro-3H-benzo[c]carbazol-5-amine is sourced from PubChem (CID 145362184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).