N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine

C57H41N3 — CID 59181394

About N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine

N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 59181394) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
• PubChem CID: 59181394
• Molecular Formula: C57H41N3
• Molecular Weight: 767.98 g/mol
• Exact Mass: 767.33
• IUPAC Name: N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
• SMILES: Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C57H41N3/c1-40-24-29-46(30-25-40)58(49-34-36-57-54(39-49)53-22-12-13-23-55(53)60(57)45-18-6-3-7-19-45)47-31-27-42(28-32-47)50-35-37-56(52-21-11-10-20-51(50)52)59(44-16-4-2-5-17-44)48-33-26-41-14-8-9-15-43(41)38-48/h2-39H,1H3
• InChIKey: XWRJUACZYMSNCU-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.98
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine?

The IUPAC name of N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine (CID 59181394) is N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine.

What is the SMILES notation for N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine?

The canonical SMILES for N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine?

The InChIKey is XWRJUACZYMSNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-40-24-29-46(30-25-40)58(49-34-36-57-54(39-49)53-22-12-13-23-55(53)60(57)45-18-6-3-7-19-45)47-31-27-42(28-32-47)50-35-37-56(52-21-11-10-20-51(50)52)59(44-16-4-2-5-17-44)48-33-26-41-14-8-9-15-43(41)38-48/h2-39H,1H3.

What are the key properties of N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine?

N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 767.98 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 59181394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).