4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline

C72H70N2 — CID 164800976

IUPAC4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C7CCCCC7)cc6)cc5)cc4)CCCCC3)cc2)cc1
InChIInChI=1S/C72H70N2/c1-6-16-54(17-7-1)56-24-28-58(29-25-56)59-32-34-61(35-33-59)63-38-46-69(47-39-63)74(67-22-12-4-13-23-67)71-50-42-65(43-51-71)72(52-14-5-15-53-72)64-40-48-70(49-41-64)73(66-20-10-3-11-21-66)68-44-36-62(37-45-68)60-30-26-57(27-31-60)55-18-8-2-9-19-55/h3-4,10-13,20-51,54-55H,1-2,5-9,14-19,52-53H2
InChIKeyDHOAONWFXCJJBG-UHFFFAOYSA-N
MW963.37 g/mol
LogP20.97
Rot. Bonds13

About 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline

4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline (PubChem CID 164800976) has the molecular formula C72H70N2 and a molecular weight of 963.37 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
PubChem CID164800976
Molecular FormulaC72H70N2
Molecular Weight963.37 g/mol
Exact Mass962.55
IUPAC Name4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C7CCCCC7)cc6)cc5)cc4)CCCCC3)cc2)cc1
InChIInChI=1S/C72H70N2/c1-6-16-54(17-7-1)56-24-28-58(29-25-56)59-32-34-61(35-33-59)63-38-46-69(47-39-63)74(67-22-12-4-13-23-67)71-50-42-65(43-51-71)72(52-14-5-15-53-72)64-40-48-70(49-41-64)73(66-20-10-3-11-21-66)68-44-36-62(37-45-68)60-30-26-57(27-31-60)55-18-8-2-9-19-55/h3-4,10-13,20-51,54-55H,1-2,5-9,14-19,52-53H2
InChIKeyDHOAONWFXCJJBG-UHFFFAOYSA-N
XLogP20.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.37
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
CID 164800977
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-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-cyclohexyl-N-[4-(1-phenylcyclooctyl)phenyl]aniline
CID 174255106
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810181
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
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-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline (CID 164800976) is 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(C7CCCCC7)cc6)cc5)cc4)CCCCC3)cc2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
The InChIKey is DHOAONWFXCJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H70N2/c1-6-16-54(17-7-1)56-24-28-58(29-25-56)59-32-34-61(35-33-59)63-38-46-69(47-39-63)74(67-22-12-4-13-23-67)71-50-42-65(43-51-71)72(52-14-5-15-53-72)64-40-48-70(49-41-64)73(66-20-10-3-11-21-66)68-44-36-62(37-45-68)60-30-26-57(27-31-60)55-18-8-2-9-19-55/h3-4,10-13,20-51,54-55H,1-2,5-9,14-19,52-53H2.
What are the key properties of 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline has a molecular weight of 963.37 g/mol, XLogP of 20.97, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 164800976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).