N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine

C60H41N3 — CID 163499652

About N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine

N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine (PubChem CID 163499652) has the molecular formula C60H41N3 and a molecular weight of 808.03 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine
• PubChem CID: 163499652
• Molecular Formula: C60H41N3
• Molecular Weight: 808.03 g/mol
• Exact Mass: 807.36
• IUPAC Name: N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2c1
• InChI: InChI=1S/C60H41N3/c1-3-18-49(19-4-1)61(52-34-30-42-14-7-8-16-45(42)39-52)53-35-31-47-38-46(26-27-48(47)40-53)43-28-32-51(33-29-43)62(58-25-13-17-44-15-9-10-22-55(44)58)54-36-37-57-56-23-11-12-24-59(56)63(60(57)41-54)50-20-5-2-6-21-50/h1-41H/i28D,29D,32D,33D
• InChIKey: GRKNAHRLWILEDR-NIAACOHHSA-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-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine?

The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine (CID 163499652) is N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine?

The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine is [2H]c1c([2H])c(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2c1.

What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine?

The InChIKey is GRKNAHRLWILEDR-NIAACOHHSA-N. The full InChI is InChI=1S/C60H41N3/c1-3-18-49(19-4-1)61(52-34-30-42-14-7-8-16-45(42)39-52)53-35-31-47-38-46(26-27-48(47)40-53)43-28-32-51(33-29-43)62(58-25-13-17-44-15-9-10-22-55(44)58)54-36-37-57-56-23-11-12-24-59(56)63(60(57)41-54)50-20-5-2-6-21-50/h1-41H/i28D,29D,32D,33D.

What are the key properties of N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine?

N-naphthalen-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]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-1-yl-9-phenyl-N-[2,3,5,6-tetradeuterio-4-[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]phenyl]carbazol-2-amine is sourced from PubChem (CID 163499652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).