N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine

C68H47N3 — CID 59181391

About N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine

N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine (PubChem CID 59181391) has the molecular formula C68H47N3 and a molecular weight of 906.14 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
• PubChem CID: 59181391
• Molecular Formula: C68H47N3
• Molecular Weight: 906.14 g/mol
• Exact Mass: 905.38
• IUPAC Name: N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)c5ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C68H47N3/c1-4-18-48(19-5-1)50-34-38-55(39-35-50)69(57-27-16-24-53(46-57)49-20-6-2-7-21-49)56-40-36-52(37-41-56)59-43-45-67(62-30-13-12-29-61(59)62)71(65-33-17-23-51-22-10-11-28-60(51)65)58-42-44-68-64(47-58)63-31-14-15-32-66(63)70(68)54-25-8-3-9-26-54/h1-47H
• InChIKey: CGWHCKFYWDRPNQ-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.14
LogP ≤ 5	19.03
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-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine (CID 59181391) is N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5cccc6ccccc56)c5ccccc45)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.

What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

The InChIKey is CGWHCKFYWDRPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N3/c1-4-18-48(19-5-1)50-34-38-55(39-35-50)69(57-27-16-24-53(46-57)49-20-6-2-7-21-49)56-40-36-52(37-41-56)59-43-45-67(62-30-13-12-29-61(59)62)71(65-33-17-23-51-22-10-11-28-60(51)65)58-42-44-68-64(47-58)63-31-14-15-32-66(63)70(68)54-25-8-3-9-26-54/h1-47H.

What are the key properties of N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine has a molecular weight of 906.14 g/mol, XLogP of 19.03, 10 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-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine is sourced from PubChem (CID 59181391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).