N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine

C70H50N6 — CID 59259901

About N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59259901) has the molecular formula C70H50N6 and a molecular weight of 975.21 g/mol. Its IUPAC name is N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
• PubChem CID: 59259901
• Molecular Formula: C70H50N6
• Molecular Weight: 975.21 g/mol
• Exact Mass: 974.41
• IUPAC Name: N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine
• SMILES: CCc1cccc2nc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12
• InChI: InChI=1S/C70H50N6/c1-2-48-20-19-31-63-68(48)72-70(50-36-40-56(41-37-50)74(52-23-9-4-10-24-52)58-43-45-67-62(47-58)60-30-16-18-33-65(60)76(67)54-27-13-6-14-28-54)69(71-63)49-34-38-55(39-35-49)73(51-21-7-3-8-22-51)57-42-44-66-61(46-57)59-29-15-17-32-64(59)75(66)53-25-11-5-12-26-53/h3-47H,2H2,1H3
• InChIKey: KHEAFXDTJHJNDK-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 42.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.21
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The IUPAC name of N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 59259901) is N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine is CCc1cccc2nc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)nc12.

What is the InChIKey of N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

The InChIKey is KHEAFXDTJHJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N6/c1-2-48-20-19-31-63-68(48)72-70(50-36-40-56(41-37-50)74(52-23-9-4-10-24-52)58-43-45-67-62(47-58)60-30-16-18-33-65(60)76(67)54-27-13-6-14-28-54)69(71-63)49-34-38-55(39-35-49)73(51-21-7-3-8-22-51)57-42-44-66-61(46-57)59-29-15-17-32-64(59)75(66)53-25-11-5-12-26-53/h3-47H,2H2,1H3.

What are the key properties of N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine?

N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 975.21 g/mol, XLogP of 18.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-ethyl-3-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]quinoxalin-2-yl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59259901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).