N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline

C62H55N — CID 170292985

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline (PubChem CID 170292985) has the molecular formula C62H55N and a molecular weight of 814.13 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
• PubChem CID: 170292985
• Molecular Formula: C62H55N
• Molecular Weight: 814.13 g/mol
• Exact Mass: 813.43
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline
• SMILES: CC1CC=CC(c2ccc(-c3ccccc3)cc2)=C1N(c1ccccc1-c1cccc2c1-c1ccccc1C2(C)C)c1ccccc1-c1cccc2cccc(C3CCCCC3)c12
• InChI: InChI=1S/C62H55N/c1-42-20-16-31-49(46-40-38-44(39-41-46)43-21-6-4-7-22-43)61(42)63(58-37-15-12-28-51(58)53-33-19-35-56-60(53)54-29-10-13-34-55(54)62(56,2)3)57-36-14-11-27-50(57)52-32-18-26-47-25-17-30-48(59(47)52)45-23-8-5-9-24-45/h4,6-7,10-19,21-22,25-42,45H,5,8-9,20,23-24H2,1-3H3
• InChIKey: HUJJGCMURYIDOS-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.13
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline (CID 170292985) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline is CC1CC=CC(c2ccc(-c3ccccc3)cc2)=C1N(c1ccccc1-c1cccc2c1-c1ccccc1C2(C)C)c1ccccc1-c1cccc2cccc(C3CCCCC3)c12.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline?

The InChIKey is HUJJGCMURYIDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H55N/c1-42-20-16-31-49(46-40-38-44(39-41-46)43-21-6-4-7-22-43)61(42)63(58-37-15-12-28-51(58)53-33-19-35-56-60(53)54-29-10-13-34-55(54)62(56,2)3)57-36-14-11-27-50(57)52-32-18-26-47-25-17-30-48(59(47)52)45-23-8-5-9-24-45/h4,6-7,10-19,21-22,25-42,45H,5,8-9,20,23-24H2,1-3H3.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline has a molecular weight of 814.13 g/mol, XLogP of 17.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[6-methyl-2-(4-phenylphenyl)cyclohexa-1,3-dien-1-yl]aniline is sourced from PubChem (CID 170292985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).