N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine

C67H62N2 — CID 170543241

About N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543241) has the molecular formula C67H62N2 and a molecular weight of 895.25 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

• Compound Name: N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
• PubChem CID: 170543241
• Molecular Formula: C67H62N2
• Molecular Weight: 895.25 g/mol
• Exact Mass: 894.49
• IUPAC Name: N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc(-c3ccccc3)c2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21
• InChI: InChI=1S/C67H62N2/c1-66(2)61-40-56(68(54-28-23-49(24-29-54)47-15-7-3-8-16-47)55-30-26-52(27-31-55)67-41-44-35-45(42-67)37-46(36-44)43-67)39-59(50-19-11-5-12-20-50)63(61)58-33-32-57-60-38-51(48-17-9-4-10-18-48)25-34-62(60)69(65(57)64(58)66)53-21-13-6-14-22-53/h4-6,9-14,17-34,38-40,44-47H,3,7-8,15-16,35-37,41-43H2,1-2H3
• InChIKey: QJBZQVJAFHPANG-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.25
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine?

The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine (CID 170543241) is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine.

What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine?

The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine is CC1(C)c2cc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc(-c3ccccc3)c2-c2ccc3c4cc(-c5ccccc5)ccc4n(-c4ccccc4)c3c21.

What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine?

The InChIKey is QJBZQVJAFHPANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H62N2/c1-66(2)61-40-56(68(54-28-23-49(24-29-54)47-15-7-3-8-16-47)55-30-26-52(27-31-55)67-41-44-35-45(42-67)37-46(36-44)43-67)39-59(50-19-11-5-12-20-50)63(61)58-33-32-57-60-38-51(48-17-9-4-10-18-48)25-34-62(60)69(65(57)64(58)66)53-21-13-6-14-22-53/h4-6,9-14,17-34,38-40,44-47H,3,7-8,15-16,35-37,41-43H2,1-2H3.

What are the key properties of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine?

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine has a molecular weight of 895.25 g/mol, XLogP of 18.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).