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

C61H67N — CID 155466824

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

N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 155466824) has the molecular formula C61H67N and a molecular weight of 814.21 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 155466824
• Molecular Formula: C61H67N
• Molecular Weight: 814.21 g/mol
• Exact Mass: 813.53
• IUPAC Name: N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cc(-c4cccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)c4)cc4c3CCCC4)cc21
• InChI: InChI=1S/C61H67N/c1-61(2)58-28-15-14-27-56(58)57-34-33-54(41-59(57)61)62(53-31-29-45(30-32-53)42-17-6-3-7-18-42)60-40-52(36-48-23-12-13-26-55(48)60)47-25-16-24-46(35-47)51-38-49(43-19-8-4-9-20-43)37-50(39-51)44-21-10-5-11-22-44/h14-16,24-25,27-44H,3-13,17-23,26H2,1-2H3
• InChIKey: MEUUVHVAIAZWDH-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.21
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine (CID 155466824) is N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine.

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

The canonical SMILES for N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3cc(-c4cccc(-c5cc(C6CCCCC6)cc(C6CCCCC6)c5)c4)cc4c3CCCC4)cc21.

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

The InChIKey is MEUUVHVAIAZWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H67N/c1-61(2)58-28-15-14-27-56(58)57-34-33-54(41-59(57)61)62(53-31-29-45(30-32-53)42-17-6-3-7-18-42)60-40-52(36-48-23-12-13-26-55(48)60)47-25-16-24-46(35-47)51-38-49(43-19-8-4-9-20-43)37-50(39-51)44-21-10-5-11-22-44/h14-16,24-25,27-44H,3-13,17-23,26H2,1-2H3.

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

N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 814.21 g/mol, XLogP of 17.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclohexylphenyl)-N-[3-[3-(3,5-dicyclohexylphenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).