N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine

C63H67N — CID 155467421

About N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine

N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 155467421) has the molecular formula C63H67N and a molecular weight of 838.24 g/mol. Its IUPAC name is N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 155467421
• Molecular Formula: C63H67N
• Molecular Weight: 838.24 g/mol
• Exact Mass: 837.53
• IUPAC Name: N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(C6CCCCC6)c5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c3CCCC4)c2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C63H67N/c1-61(2,3)49-38-48(39-50(40-49)62(4,5)6)46-22-17-23-47(37-46)53-34-35-60(57-26-13-12-24-54(53)57)64(52-32-33-56-55-25-14-15-27-58(55)63(7,8)59(56)41-52)51-30-28-43(29-31-51)45-21-16-20-44(36-45)42-18-10-9-11-19-42/h14-17,20-23,25,27-42H,9-13,18-19,24,26H2,1-8H3
• InChIKey: LBSWMBDKXHLJRT-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.24
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine (CID 155467421) is N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(C6CCCCC6)c5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c3CCCC4)c2)cc(C(C)(C)C)c1.

What is the InChIKey of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine?

The InChIKey is LBSWMBDKXHLJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H67N/c1-61(2,3)49-38-48(39-50(40-49)62(4,5)6)46-22-17-23-47(37-46)53-34-35-60(57-26-13-12-24-54(53)57)64(52-32-33-56-55-25-14-15-27-58(55)63(7,8)59(56)41-52)51-30-28-43(29-31-51)45-21-16-20-44(36-45)42-18-10-9-11-19-42/h14-17,20-23,25,27-42H,9-13,18-19,24,26H2,1-8H3.

What are the key properties of N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine?

N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 838.24 g/mol, XLogP of 17.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155467421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).