9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine

C64H58N2 — CID 171416221

About 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine (PubChem CID 171416221) has the molecular formula C64H58N2 and a molecular weight of 855.18 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
• PubChem CID: 171416221
• Molecular Formula: C64H58N2
• Molecular Weight: 855.18 g/mol
• Exact Mass: 854.46
• IUPAC Name: 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine
• SMILES: CC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)c3ccc4ccccc4c3)cc2)C1
• InChI: InChI=1S/C64H58N2/c1-45(2)49-22-17-41-64(44-49,50-30-35-54(36-31-50)65(52-23-10-6-11-24-52)53-25-12-7-13-26-53)51-32-37-55(38-33-51)66(56-34-29-46-18-14-15-21-48(46)42-56)57-39-40-59-61(43-57)63(3,4)60-28-16-27-58(62(59)60)47-19-8-5-9-20-47/h5-16,18-21,23-40,42-43,45,49H,17,22,41,44H2,1-4H3
• InChIKey: YMUBYIQAGILAOD-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.18
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine (CID 171416221) is 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine is CC(C)C1CCCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)(c2ccc(N(c3ccc4c(c3)C(C)(C)c3cccc(-c5ccccc5)c3-4)c3ccc4ccccc4c3)cc2)C1.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

The InChIKey is YMUBYIQAGILAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N2/c1-45(2)49-22-17-41-64(44-49,50-30-35-54(36-31-50)65(52-23-10-6-11-24-52)53-25-12-7-13-26-53)51-32-37-55(38-33-51)66(56-34-29-46-18-14-15-21-48(46)42-56)57-39-40-59-61(43-57)63(3,4)60-28-16-27-58(62(59)60)47-19-8-5-9-20-47/h5-16,18-21,23-40,42-43,45,49H,17,22,41,44H2,1-4H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine has a molecular weight of 855.18 g/mol, XLogP of 17.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]-3-propan-2-ylcyclohexyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 171416221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).