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

C64H70N2 — CID 164800997

IUPAC4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(C4CCCCCCC4)cc3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc(C6CCCCCCC6)cc5)cc4)CCCCC3)cc2)cc1
InChIInChI=1S/C64H70N2/c1-3-10-20-50(21-11-4-1)52-28-30-53(31-29-52)55-34-42-61(43-35-55)66(59-26-16-8-17-27-59)63-46-38-57(39-47-63)64(48-18-9-19-49-64)56-36-44-62(45-37-56)65(58-24-14-7-15-25-58)60-40-32-54(33-41-60)51-22-12-5-2-6-13-23-51/h7-8,14-17,24-47,50-51H,1-6,9-13,18-23,48-49H2
InChIKeyDSNBLHOBZCZSRU-UHFFFAOYSA-N
MW867.28 g/mol
LogP19.20
Rot. Bonds11

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

4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline (PubChem CID 164800997) has the molecular formula C64H70N2 and a molecular weight of 867.28 g/mol. Its IUPAC name is 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
PubChem CID164800997
Molecular FormulaC64H70N2
Molecular Weight867.28 g/mol
Exact Mass866.55
IUPAC Name4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(C4CCCCCCC4)cc3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc(C6CCCCCCC6)cc5)cc4)CCCCC3)cc2)cc1
InChIInChI=1S/C64H70N2/c1-3-10-20-50(21-11-4-1)52-28-30-53(31-29-52)55-34-42-61(43-35-55)66(59-26-16-8-17-27-59)63-46-38-57(39-47-63)64(48-18-9-19-49-64)56-36-44-62(45-37-56)65(58-24-14-7-15-25-58)60-40-32-54(33-41-60)51-22-12-5-2-6-13-23-51/h7-8,14-17,24-47,50-51H,1-6,9-13,18-23,48-49H2
InChIKeyDSNBLHOBZCZSRU-UHFFFAOYSA-N
XLogP19.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.28
LogP ≤ 519.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976
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-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline (CID 164800997) is 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(C4CCCCCCC4)cc3)cc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc(C6CCCCCCC6)cc5)cc4)CCCCC3)cc2)cc1.
What is the InChIKey of 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
The InChIKey is DSNBLHOBZCZSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H70N2/c1-3-10-20-50(21-11-4-1)52-28-30-53(31-29-52)55-34-42-61(43-35-55)66(59-26-16-8-17-27-59)63-46-38-57(39-47-63)64(48-18-9-19-49-64)56-36-44-62(45-37-56)65(58-24-14-7-15-25-58)60-40-32-54(33-41-60)51-22-12-5-2-6-13-23-51/h7-8,14-17,24-47,50-51H,1-6,9-13,18-23,48-49H2.
What are the key properties of 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline?
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline has a molecular weight of 867.28 g/mol, XLogP of 19.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 164800997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).