N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine

C46H46N2 — CID 159219717

IUPACN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc32)cc1
InChIInChI=1S/C46H46N2/c1-3-9-35(10-4-1)36-15-19-39(20-16-36)47(40-21-17-37(18-22-40)46-29-32-25-33(30-46)27-34(26-32)31-46)41-23-24-43-42-13-7-8-14-44(42)48(45(43)28-41)38-11-5-2-6-12-38/h2,5-8,11-24,28,32-35H,1,3-4,9-10,25-27,29-31H2
InChIKeyIIEROEYUDCJMQY-UHFFFAOYSA-N
MW626.89 g/mol
LogP12.77
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine

N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 159219717) has the molecular formula C46H46N2 and a molecular weight of 626.89 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
PubChem CID159219717
Molecular FormulaC46H46N2
Molecular Weight626.89 g/mol
Exact Mass626.37
IUPAC NameN-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc32)cc1
InChIInChI=1S/C46H46N2/c1-3-9-35(10-4-1)36-15-19-39(20-16-36)47(40-21-17-37(18-22-40)46-29-32-25-33(30-46)27-34(26-32)31-46)41-23-24-43-42-13-7-8-14-44(42)48(45(43)28-41)38-11-5-2-6-12-38/h2,5-8,11-24,28,32-35H,1,3-4,9-10,25-27,29-31H2
InChIKeyIIEROEYUDCJMQY-UHFFFAOYSA-N
XLogP12.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.89
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-2-amine
CID 130204001
N,N-bis[4-(1-adamantyl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 170543141
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
3-N-[3-(N-(4-cyclohexylphenyl)anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 177275872
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 174254574
N-[4-(1-adamantyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcycloheptyl)phenyl]aniline
CID 174254907
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-12,12-dimethyl-4,8,11-triphenylindeno[2,1-a]carbazol-2-amine
CID 170543241

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine (CID 159219717) is N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc32)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is IIEROEYUDCJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N2/c1-3-9-35(10-4-1)36-15-19-39(20-16-36)47(40-21-17-37(18-22-40)46-29-32-25-33(30-46)27-34(26-32)31-46)41-23-24-43-42-13-7-8-14-44(42)48(45(43)28-41)38-11-5-2-6-12-38/h2,5-8,11-24,28,32-35H,1,3-4,9-10,25-27,29-31H2.
What are the key properties of N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine?
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine has a molecular weight of 626.89 g/mol, XLogP of 12.77, 6 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)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 159219717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).