N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine

C54H50N2S — CID 168810336

IUPACN-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)CCCCC3)cc2)cc1
InChIInChI=1S/C54H50N2S/c1-5-15-40(16-6-1)41-23-29-46(30-24-41)56(49-35-36-51-50-21-11-12-22-52(50)57-53(51)39-49)48-33-27-43(28-34-48)54(37-13-4-14-38-54)42-25-31-47(32-26-42)55(44-17-7-2-8-18-44)45-19-9-3-10-20-45/h2-3,7-12,17-36,39-40H,1,4-6,13-16,37-38H2
InChIKeyRDZFBYHCJBVZCA-UHFFFAOYSA-N
MW759.08 g/mol
LogP16.29
Rot. Bonds9

About N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine

N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine (PubChem CID 168810336) has the molecular formula C54H50N2S and a molecular weight of 759.08 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
PubChem CID168810336
Molecular FormulaC54H50N2S
Molecular Weight759.08 g/mol
Exact Mass758.37
IUPAC NameN-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)CCCCC3)cc2)cc1
InChIInChI=1S/C54H50N2S/c1-5-15-40(16-6-1)41-23-29-46(30-24-41)56(49-35-36-51-50-21-11-12-22-52(50)57-53(51)39-49)48-33-27-43(28-34-48)54(37-13-4-14-38-54)42-25-31-47(32-26-42)55(44-17-7-2-8-18-44)45-19-9-3-10-20-45/h2-3,7-12,17-36,39-40H,1,4-6,13-16,37-38H2
InChIKeyRDZFBYHCJBVZCA-UHFFFAOYSA-N
XLogP16.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.08
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-3-amine
CID 174255023
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059
N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
CID 174254843
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
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclopentyl]phenyl]carbazol-2-amine
CID 168810665
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794
N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
CID 168810264
5-N,9-N-bis(4-cyclohexylphenyl)-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 90263495
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclopentyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810687

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine (CID 168810336) is N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6c(c5)sc5ccccc56)cc4)CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is RDZFBYHCJBVZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N2S/c1-5-15-40(16-6-1)41-23-29-46(30-24-41)56(49-35-36-51-50-21-11-12-22-52(50)57-53(51)39-49)48-33-27-43(28-34-48)54(37-13-4-14-38-54)42-25-31-47(32-26-42)55(44-17-7-2-8-18-44)45-19-9-3-10-20-45/h2-3,7-12,17-36,39-40H,1,4-6,13-16,37-38H2.
What are the key properties of N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine?
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine has a molecular weight of 759.08 g/mol, XLogP of 16.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 168810336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).