N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine

C81H55N3 — CID 20748218

About N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine

N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 20748218) has the molecular formula C81H55N3 and a molecular weight of 1070.35 g/mol. Its IUPAC name is N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 20748218
• Molecular Formula: C81H55N3
• Molecular Weight: 1070.35 g/mol
• Exact Mass: 1069.44
• IUPAC Name: N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C81H55N3/c1-3-19-69-61(15-1)17-13-29-77(69)82(64-45-35-56(36-46-64)55-31-33-63(34-32-55)81-75-25-7-5-21-71(75)72-22-6-8-26-76(72)81)65-47-37-57(38-48-65)58-39-49-66(50-40-58)83(78-30-14-18-62-16-2-4-20-70(62)78)67-51-41-59(42-52-67)60-43-53-68(54-44-60)84-79-27-11-9-23-73(79)74-24-10-12-28-80(74)84/h1-54,81H
• InChIKey: SNKGEVLLRIXREJ-UHFFFAOYSA-N
• XLogP: 22.19
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.35
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine (CID 20748218) is N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine is c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine?

The InChIKey is SNKGEVLLRIXREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55N3/c1-3-19-69-61(15-1)17-13-29-77(69)82(64-45-35-56(36-46-64)55-31-33-63(34-32-55)81-75-25-7-5-21-71(75)72-22-6-8-26-76(72)81)65-47-37-57(38-48-65)58-39-49-66(50-40-58)83(78-30-14-18-62-16-2-4-20-70(62)78)67-51-41-59(42-52-67)60-43-53-68(54-44-60)84-79-27-11-9-23-73(79)74-24-10-12-28-80(74)84/h1-54,81H.

What are the key properties of N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine?

N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 1070.35 g/mol, XLogP of 22.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(4-carbazol-9-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 20748218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).