N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine

C47H48N2 — CID 170543198

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
SMILESCn1c2ccccc2c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(C4CCCCC4)cc2)c2ccc(C4CC5CCC4C5)cc2)ccc1-3
InChIInChI=1S/C47H48N2/c1-47(2)43-29-37(23-24-38(43)40-25-26-41-39-11-7-8-12-44(39)48(3)46(41)45(40)47)49(35-19-15-32(16-20-35)31-9-5-4-6-10-31)36-21-17-33(18-22-36)42-28-30-13-14-34(42)27-30/h7-8,11-12,15-26,29-31,34,42H,4-6,9-10,13-14,27-28H2,1-3H3
InChIKeyQAMZUZRNGYSOHI-UHFFFAOYSA-N
MW640.92 g/mol
LogP13.06
Rot. Bonds5

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine (PubChem CID 170543198) has the molecular formula C47H48N2 and a molecular weight of 640.92 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
PubChem CID170543198
Molecular FormulaC47H48N2
Molecular Weight640.92 g/mol
Exact Mass640.38
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
SMILESCn1c2ccccc2c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(C4CCCCC4)cc2)c2ccc(C4CC5CCC4C5)cc2)ccc1-3
InChIInChI=1S/C47H48N2/c1-47(2)43-29-37(23-24-38(43)40-25-26-41-39-11-7-8-12-44(39)48(3)46(41)45(40)47)49(35-19-15-32(16-20-35)31-9-5-4-6-10-31)36-21-17-33(18-22-36)42-28-30-13-14-34(42)27-30/h7-8,11-12,15-26,29-31,34,42H,4-6,9-10,13-14,27-28H2,1-3H3
InChIKeyQAMZUZRNGYSOHI-UHFFFAOYSA-N
XLogP13.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.92
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738743
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-amine
CID 170543143
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-8-naphthalen-2-ylfluoren-2-amine
CID 168739163
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-8-phenylfluoren-2-amine
CID 168739480
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-5-naphthalen-1-ylfluoren-2-amine
CID 168739156
N,N-bis[4-(1-adamantyl)phenyl]-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine
CID 170543145
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-5,11,11-trimethylindeno[1,2-b]carbazol-9-amine
CID 170543069
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739015
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(3-cyclohexylphenyl)phenyl]-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 168738973
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethyl-6-phenylfluoren-2-amine
CID 168739466
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-(2-phenylphenyl)fluoren-2-amine
CID 168738887

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine (CID 170543198) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine is Cn1c2ccccc2c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(C4CCCCC4)cc2)c2ccc(C4CC5CCC4C5)cc2)ccc1-3.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
The InChIKey is QAMZUZRNGYSOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48N2/c1-47(2)43-29-37(23-24-38(43)40-25-26-41-39-11-7-8-12-44(39)48(3)46(41)45(40)47)49(35-19-15-32(16-20-35)31-9-5-4-6-10-31)36-21-17-33(18-22-36)42-28-30-13-14-34(42)27-30/h7-8,11-12,15-26,29-31,34,42H,4-6,9-10,13-14,27-28H2,1-3H3.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine has a molecular weight of 640.92 g/mol, XLogP of 13.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-cyclohexylphenyl)-11,12,12-trimethylindeno[2,1-a]carbazol-2-amine is sourced from PubChem (CID 170543198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).