6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine

C88H58N6 — CID 59259764

About 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine

6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59259764) has the molecular formula C88H58N6 and a molecular weight of 1199.47 g/mol. Its IUPAC name is 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
• PubChem CID: 59259764
• Molecular Formula: C88H58N6
• Molecular Weight: 1199.47 g/mol
• Exact Mass: 1198.47
• IUPAC Name: 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
• SMILES: c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc7ccccc7c6)ccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C88H58N6/c1-5-23-69(24-6-1)91(75-47-51-85-79(57-75)77-55-67(65-35-33-59-19-13-15-21-63(59)53-65)41-49-83(77)93(85)71-27-9-3-10-28-71)73-43-37-61(38-44-73)87-88(90-82-32-18-17-31-81(82)89-87)62-39-45-74(46-40-62)92(70-25-7-2-8-26-70)76-48-52-86-80(58-76)78-56-68(66-36-34-60-20-14-16-22-64(60)54-66)42-50-84(78)94(86)72-29-11-4-12-30-72/h1-58H
• InChIKey: VOEXJHNTUPGIDF-UHFFFAOYSA-N
• XLogP: 23.74
• TPSA: 42.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1199.47
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The IUPAC name of 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 59259764) is 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(-c6ccc7ccccc7c6)ccc4n5-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2cc(-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The InChIKey is VOEXJHNTUPGIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H58N6/c1-5-23-69(24-6-1)91(75-47-51-85-79(57-75)77-55-67(65-35-33-59-19-13-15-21-63(59)53-65)41-49-83(77)93(85)71-27-9-3-10-28-71)73-43-37-61(38-44-73)87-88(90-82-32-18-17-31-81(82)89-87)62-39-45-74(46-40-62)92(70-25-7-2-8-26-70)76-48-52-86-80(58-76)78-56-68(66-36-34-60-20-14-16-22-64(60)54-66)42-50-84(78)94(86)72-29-11-4-12-30-72/h1-58H.

What are the key properties of 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 1199.47 g/mol, XLogP of 23.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-naphthalen-2-yl-N-[4-[3-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59259764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).