N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine

C58H54N2S — CID 168810264

IUPACN-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6sc7ccccc7c6c5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C58H54N2S/c1-4-12-42(13-5-1)43-20-26-50(27-21-43)60(53-32-33-57-55(39-53)54-18-10-11-19-56(54)61-57)52-30-24-45(25-31-52)58(46-35-40-34-41(37-46)38-47(58)36-40)44-22-28-51(29-23-44)59(48-14-6-2-7-15-48)49-16-8-3-9-17-49/h2-3,6-11,14-33,39-42,46-47H,1,4-5,12-13,34-38H2
InChIKeyZADHTZUCTFVVSP-UHFFFAOYSA-N
MW811.15 g/mol
LogP16.78
Rot. Bonds9

About N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine

N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine (PubChem CID 168810264) has the molecular formula C58H54N2S and a molecular weight of 811.15 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
PubChem CID168810264
Molecular FormulaC58H54N2S
Molecular Weight811.15 g/mol
Exact Mass810.40
IUPAC NameN-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6sc7ccccc7c6c5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C58H54N2S/c1-4-12-42(13-5-1)43-20-26-50(27-21-43)60(53-32-33-57-55(39-53)54-18-10-11-19-56(54)61-57)52-30-24-45(25-31-52)58(46-35-40-34-41(37-46)38-47(58)36-40)44-22-28-51(29-23-44)59(48-14-6-2-7-15-48)49-16-8-3-9-17-49/h2-3,6-11,14-33,39-42,46-47H,1,4-5,12-13,34-38H2
InChIKeyZADHTZUCTFVVSP-UHFFFAOYSA-N
XLogP16.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.15
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzothiophen-2-amine
CID 168810457
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-2-amine
CID 168810688
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-5,5-dimethyl-N-phenylbenzo[b][1]benzosilol-3-amine
CID 168810623
6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 90263647
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059
2-cyclohexyldibenzothiophene
CID 154097064
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[4-(5-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]dibenzothiophene-2,7-diamine
CID 155421994
N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine (CID 168810264) is N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc6sc7ccccc7c6c5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine?
The InChIKey is ZADHTZUCTFVVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2S/c1-4-12-42(13-5-1)43-20-26-50(27-21-43)60(53-32-33-57-55(39-53)54-18-10-11-19-56(54)61-57)52-30-24-45(25-31-52)58(46-35-40-34-41(37-46)38-47(58)36-40)44-22-28-51(29-23-44)59(48-14-6-2-7-15-48)49-16-8-3-9-17-49/h2-3,6-11,14-33,39-42,46-47H,1,4-5,12-13,34-38H2.
What are the key properties of N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine?
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine has a molecular weight of 811.15 g/mol, XLogP of 16.78, 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-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 168810264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).