4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline

C76H88N2 — CID 164800977

IUPAC4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
SMILESCCCCCCCCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccc(-c7ccc(CCCCCCCC)cc7)cc6)c6ccc(C7CCCCC7)cc6)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C76H88N2/c1-3-5-7-9-11-16-24-60-30-34-63(35-31-60)66-40-50-71(51-41-66)77(70-28-20-14-21-29-70)74-54-44-68(45-55-74)76(58-22-15-23-59-76)69-46-56-75(57-47-69)78(72-48-38-65(39-49-72)62-26-18-13-19-27-62)73-52-42-67(43-53-73)64-36-32-61(33-37-64)25-17-12-10-8-6-4-2/h14,20-21,28-57,62H,3-13,15-19,22-27,58-59H2,1-2H3
InChIKeyGKTODTPCDBBHSC-UHFFFAOYSA-N
MW1029.55 g/mol
LogP23.06
Rot. Bonds25

About 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline

4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline (PubChem CID 164800977) has the molecular formula C76H88N2 and a molecular weight of 1029.55 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
PubChem CID164800977
Molecular FormulaC76H88N2
Molecular Weight1029.55 g/mol
Exact Mass1028.69
IUPAC Name4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
SMILESCCCCCCCCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccc(-c7ccc(CCCCCCCC)cc7)cc6)c6ccc(C7CCCCC7)cc6)cc5)CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C76H88N2/c1-3-5-7-9-11-16-24-60-30-34-63(35-31-60)66-40-50-71(51-41-66)77(70-28-20-14-21-29-70)74-54-44-68(45-55-74)76(58-22-15-23-59-76)69-46-56-75(57-47-69)78(72-48-38-65(39-49-72)62-26-18-13-19-27-62)73-52-42-67(43-53-73)64-36-32-61(33-37-64)25-17-12-10-8-6-4-2/h14,20-21,28-57,62H,3-13,15-19,22-27,58-59H2,1-2H3
InChIKeyGKTODTPCDBBHSC-UHFFFAOYSA-N
XLogP23.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.55
LogP ≤ 523.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-octyl-N-[4-[1-[4-(N-(4-octylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800970
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976
4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
CID 19429970
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
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
4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline
CID 175703232
2-(4-cyclohexylphenyl)-5-(4-hexylphenyl)pyrimidine
CID 54327235
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810181

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline?
The IUPAC name of 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline (CID 164800977) is 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline.
What is the SMILES notation for 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline?
The canonical SMILES for 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline is CCCCCCCCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccc(N(c6ccc(-c7ccc(CCCCCCCC)cc7)cc6)c6ccc(C7CCCCC7)cc6)cc5)CCCCC4)cc3)cc2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline?
The InChIKey is GKTODTPCDBBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H88N2/c1-3-5-7-9-11-16-24-60-30-34-63(35-31-60)66-40-50-71(51-41-66)77(70-28-20-14-21-29-70)74-54-44-68(45-55-74)76(58-22-15-23-59-76)69-46-56-75(57-47-69)78(72-48-38-65(39-49-72)62-26-18-13-19-27-62)73-52-42-67(43-53-73)64-36-32-61(33-37-64)25-17-12-10-8-6-4-2/h14,20-21,28-57,62H,3-13,15-19,22-27,58-59H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline?
4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline has a molecular weight of 1029.55 g/mol, XLogP of 23.06, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline is sourced from PubChem (CID 164800977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).