N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine

C60H41N3 — CID 163931277

About N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine

N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine (PubChem CID 163931277) has the molecular formula C60H41N3 and a molecular weight of 808.03 g/mol. Its IUPAC name is N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
• PubChem CID: 163931277
• Molecular Formula: C60H41N3
• Molecular Weight: 808.03 g/mol
• Exact Mass: 807.36
• IUPAC Name: N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccccc2)c2ccc3ccccc3c2)c([2H])c([2H])c1-c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c1
• InChI: InChI=1S/C60H41N3/c1-3-17-50(18-4-1)61(53-32-27-42-13-7-9-15-45(42)38-53)52-30-25-44(26-31-52)47-23-24-49-40-55(34-29-48(49)37-47)62(54-33-28-43-14-8-10-16-46(43)39-54)56-35-36-58-57-21-11-12-22-59(57)63(60(58)41-56)51-19-5-2-6-20-51/h1-41H/i25D,26D,30D,31D
• InChIKey: SDZSBAPFGYYFSP-DSIMOOQSSA-N
• XLogP: 16.85
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.03
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

The IUPAC name of N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine (CID 163931277) is N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine.

What is the SMILES notation for N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

The canonical SMILES for N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine is [2H]c1c([2H])c(N(c2ccccc2)c2ccc3ccccc3c2)c([2H])c([2H])c1-c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc2c1.

What is the InChIKey of N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

The InChIKey is SDZSBAPFGYYFSP-DSIMOOQSSA-N. The full InChI is InChI=1S/C60H41N3/c1-3-17-50(18-4-1)61(53-32-27-42-13-7-9-15-45(42)38-53)52-30-25-44(26-31-52)47-23-24-49-40-55(34-29-48(49)37-47)62(54-33-28-43-14-8-10-16-46(43)39-54)56-35-36-58-57-21-11-12-22-59(57)63(60(58)41-56)51-19-5-2-6-20-51/h1-41H/i25D,26D,30D,31D.

What are the key properties of N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine?

N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine has a molecular weight of 808.03 g/mol, XLogP of 16.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-9-phenyl-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine is sourced from PubChem (CID 163931277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).