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

C62H42FN3 — CID 59181411

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

N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine (PubChem CID 59181411) has the molecular formula C62H42FN3 and a molecular weight of 848.04 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
• PubChem CID: 59181411
• Molecular Formula: C62H42FN3
• Molecular Weight: 848.04 g/mol
• Exact Mass: 847.34
• IUPAC Name: N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
• SMILES: Fc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C62H42FN3/c63-48-28-35-51(36-29-48)64(54-37-39-62-59(42-54)58-21-11-12-22-60(58)66(62)49-17-5-2-6-18-49)50-32-26-46(27-33-50)55-38-40-61(57-20-10-9-19-56(55)57)65(53-34-25-44-15-7-8-16-47(44)41-53)52-30-23-45(24-31-52)43-13-3-1-4-14-43/h1-42H
• InChIKey: SYJJXZCPZDNANC-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.04
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine (CID 59181411) is N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine.

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

The canonical SMILES for N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine is Fc1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

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

The InChIKey is SYJJXZCPZDNANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42FN3/c63-48-28-35-51(36-29-48)64(54-37-39-62-59(42-54)58-21-11-12-22-60(58)66(62)49-17-5-2-6-18-49)50-32-26-46(27-33-50)55-38-40-61(57-20-10-9-19-56(55)57)65(53-34-25-44-15-7-8-16-47(44)41-53)52-30-23-45(24-31-52)43-13-3-1-4-14-43/h1-42H.

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

N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 848.04 g/mol, XLogP of 17.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 59181411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).