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

C66H45N3 — CID 59181361

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

N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine (PubChem CID 59181361) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
• PubChem CID: 59181361
• Molecular Formula: C66H45N3
• Molecular Weight: 880.11 g/mol
• Exact Mass: 879.36
• IUPAC Name: N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C66H45N3/c1-3-16-46(17-4-1)48-30-35-53(36-31-48)67(63-29-15-21-49-19-9-10-24-58(49)63)54-37-33-50(34-38-54)57-41-43-65(60-26-12-11-25-59(57)60)68(55-39-32-47-18-7-8-20-51(47)44-55)56-40-42-66-62(45-56)61-27-13-14-28-64(61)69(66)52-22-5-2-6-23-52/h1-45H
• InChIKey: DLAKMWPCIUTKHL-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.11
LogP ≤ 5	18.52
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-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine?

The IUPAC name of N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine (CID 59181361) is N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine.

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

The canonical SMILES for N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)c3cccc4ccccc34)cc2)cc1.

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

The InChIKey is DLAKMWPCIUTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-3-16-46(17-4-1)48-30-35-53(36-31-48)67(63-29-15-21-49-19-9-10-24-58(49)63)54-37-33-50(34-38-54)57-41-43-65(60-26-12-11-25-59(57)60)68(55-39-32-47-18-7-8-20-51(47)44-55)56-40-42-66-62(45-56)61-27-13-14-28-64(61)69(66)52-22-5-2-6-23-52/h1-45H.

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

N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine has a molecular weight of 880.11 g/mol, XLogP of 18.52, 9 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-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 59181361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).