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

C60H41N3 — CID 70938071

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

N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine (PubChem CID 70938071) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
• PubChem CID: 70938071
• Molecular Formula: C60H41N3
• Molecular Weight: 804.01 g/mol
• Exact Mass: 803.33
• IUPAC Name: N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C60H41N3/c1-3-20-46(21-4-1)61(57-29-15-19-43-17-9-10-24-52(43)57)48-33-31-44(32-34-48)51-37-39-59(54-26-12-11-25-53(51)54)62(49-35-30-42-16-7-8-18-45(42)40-49)50-36-38-60-56(41-50)55-27-13-14-28-58(55)63(60)47-22-5-2-6-23-47/h1-41H
• InChIKey: SXZOGUBYJYHJHB-UHFFFAOYSA-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	804.01
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-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine?

The IUPAC name of N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine (CID 70938071) is N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine.

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

The canonical SMILES for N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc2)c2cccc3ccccc23)cc1.

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

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

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

N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine has a molecular weight of 804.01 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-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 70938071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).