N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine

C65H48N2 — CID 134504581

About N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine

N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine (PubChem CID 134504581) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
• PubChem CID: 134504581
• Molecular Formula: C65H48N2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.38
• IUPAC Name: N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
• SMILES: C1=CC(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)CC=C1c1ccccc1
• InChI: InChI=1S/C65H48N2/c1-5-18-47(19-6-1)48-32-38-55(39-33-48)66(58-44-45-61-60-29-15-16-30-62(60)65(63(61)46-58,52-22-7-2-8-23-52)53-24-9-3-10-25-53)56-40-34-49(35-41-56)50-36-42-57(43-37-50)67(54-26-11-4-12-27-54)64-31-17-21-51-20-13-14-28-59(51)64/h1-38,40-46,55H,39H2
• InChIKey: OGRBSPDXZQRGPA-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine (CID 134504581) is N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine.

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

The canonical SMILES for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine is C1=CC(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)CC=C1c1ccccc1.

What is the InChIKey of N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine?

The InChIKey is OGRBSPDXZQRGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-5-18-47(19-6-1)48-32-38-55(39-33-48)66(58-44-45-61-60-29-15-16-30-62(60)65(63(61)46-58,52-22-7-2-8-23-52)53-24-9-3-10-25-53)56-40-34-49(35-41-56)50-36-42-57(43-37-50)67(54-26-11-4-12-27-54)64-31-17-21-51-20-13-14-28-59(51)64/h1-38,40-46,55H,39H2.

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

N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine has a molecular weight of 857.11 g/mol, XLogP of 16.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine is sourced from PubChem (CID 134504581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).