N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine

C77H52N2 — CID 166566306

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 166566306) has the molecular formula C77H52N2 and a molecular weight of 1005.28 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
• PubChem CID: 166566306
• Molecular Formula: C77H52N2
• Molecular Weight: 1005.28 g/mol
• Exact Mass: 1004.41
• IUPAC Name: N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc32)cc1
• InChI: InChI=1S/C77H52N2/c1-3-22-63(23-4-1)77(64-24-5-2-6-25-64)73-30-12-9-27-69(73)70-48-47-68(52-74(70)77)78(66-45-41-57(42-46-66)61-21-16-26-67(51-61)79-75-31-13-10-28-71(75)72-29-11-14-32-76(72)79)65-43-39-55(40-44-65)54-33-35-56(36-34-54)59-19-15-20-60(49-59)62-38-37-53-17-7-8-18-58(53)50-62/h1-52H
• InChIKey: CHOUWCNJYFRKKH-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.28
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine (CID 166566306) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)cc4)c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)cc32)cc1.

What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

The InChIKey is CHOUWCNJYFRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N2/c1-3-22-63(23-4-1)77(64-24-5-2-6-25-64)73-30-12-9-27-69(73)70-48-47-68(52-74(70)77)78(66-45-41-57(42-46-66)61-21-16-26-67(51-61)79-75-31-13-10-28-71(75)72-29-11-14-32-76(72)79)65-43-39-55(40-44-65)54-33-35-56(36-34-54)59-19-15-20-60(49-59)62-38-37-53-17-7-8-18-58(53)50-62/h1-52H.

What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine?

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 1005.28 g/mol, XLogP of 20.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 166566306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).