3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline

C42H42N2 — CID 164939404

IUPAC3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
SMILESc1cc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H42N2/c1-3-12-31(13-4-1)33-22-26-35(27-23-33)43(36-28-24-34(25-29-36)32-14-5-2-6-15-32)37-16-11-17-38(30-37)44-41-20-9-7-18-39(41)40-19-8-10-21-42(40)44/h7-11,16-32H,1-6,12-15H2
InChIKeyILIIPRUOSBGUEE-UHFFFAOYSA-N
MW574.81 g/mol
LogP12.35
Rot. Bonds6

About 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline

3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline (PubChem CID 164939404) has the molecular formula C42H42N2 and a molecular weight of 574.81 g/mol. Its IUPAC name is 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
PubChem CID164939404
Molecular FormulaC42H42N2
Molecular Weight574.81 g/mol
Exact Mass574.33
IUPAC Name3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
SMILESc1cc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H42N2/c1-3-12-31(13-4-1)33-22-26-35(27-23-33)43(36-28-24-34(25-29-36)32-14-5-2-6-15-32)37-16-11-17-38(30-37)44-41-20-9-7-18-39(41)40-19-8-10-21-42(40)44/h7-11,16-32H,1-6,12-15H2
InChIKeyILIIPRUOSBGUEE-UHFFFAOYSA-N
XLogP12.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]ethyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 168810700
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291479
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174291586
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9-phenylcarbazol-2-amine
CID 159219717
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline?
The IUPAC name of 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline (CID 164939404) is 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline.
What is the SMILES notation for 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline?
The canonical SMILES for 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline is c1cc(N(c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline?
The InChIKey is ILIIPRUOSBGUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N2/c1-3-12-31(13-4-1)33-22-26-35(27-23-33)43(36-28-24-34(25-29-36)32-14-5-2-6-15-32)37-16-11-17-38(30-37)44-41-20-9-7-18-39(41)40-19-8-10-21-42(40)44/h7-11,16-32H,1-6,12-15H2.
What are the key properties of 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline?
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline has a molecular weight of 574.81 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline is sourced from PubChem (CID 164939404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).