N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C65H44N2 — CID 122414007

About N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 122414007) has the molecular formula C65H44N2 and a molecular weight of 853.08 g/mol. Its IUPAC name is N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 122414007
• Molecular Formula: C65H44N2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.35
• IUPAC Name: N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C65H44N2/c1-4-17-45(18-5-1)46-31-36-52(37-32-46)66(54-40-41-57-56-26-12-14-28-60(56)65(61(57)44-54,50-21-6-2-7-22-50)51-23-8-3-9-24-51)53-38-33-47(34-39-53)49-35-42-64-59(43-49)58-27-13-15-29-63(58)67(64)62-30-16-20-48-19-10-11-25-55(48)62/h1-44H
• InChIKey: RJSPRGSNIABURX-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.08
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 122414007) is N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.

What is the InChIKey of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is RJSPRGSNIABURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2/c1-4-17-45(18-5-1)46-31-36-52(37-32-46)66(54-40-41-57-56-26-12-14-28-60(56)65(61(57)44-54,50-21-6-2-7-22-50)51-23-8-3-9-24-51)53-38-33-47(34-39-53)49-35-42-64-59(43-49)58-27-13-15-29-63(58)67(64)62-30-16-20-48-19-10-11-25-55(48)62/h1-44H.

What are the key properties of N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 853.08 g/mol, XLogP of 17.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122414007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).