N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine

C49H47NS — CID 174255059

IUPACN-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc3sc4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6(c7ccccc7)CCCCCC6)cc5)cc4c23)cc1
InChIInChI=1S/C49H47NS/c1-2-13-34-49(33-12-1,39-19-10-5-11-20-39)40-25-29-42(30-26-40)50(41-27-23-37(24-28-41)36-15-6-3-7-16-36)43-31-32-46-45(35-43)48-44(21-14-22-47(48)51-46)38-17-8-4-9-18-38/h4-5,8-11,14,17-32,35-36H,1-3,6-7,12-13,15-16,33-34H2
InChIKeyMTDASXNYLCGJGR-UHFFFAOYSA-N
MW681.99 g/mol
LogP14.88
Rot. Bonds7

About N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine

N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine (PubChem CID 174255059) has the molecular formula C49H47NS and a molecular weight of 681.99 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
PubChem CID174255059
Molecular FormulaC49H47NS
Molecular Weight681.99 g/mol
Exact Mass681.34
IUPAC NameN-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2cccc3sc4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6(c7ccccc7)CCCCCC6)cc5)cc4c23)cc1
InChIInChI=1S/C49H47NS/c1-2-13-34-49(33-12-1,39-19-10-5-11-20-39)40-25-29-42(30-26-40)50(41-27-23-37(24-28-41)36-15-6-3-7-16-36)43-31-32-46-45(35-43)48-44(21-14-22-47(48)51-46)38-17-8-4-9-18-38/h4-5,8-11,14,17-32,35-36H,1-3,6-7,12-13,15-16,33-34H2
InChIKeyMTDASXNYLCGJGR-UHFFFAOYSA-N
XLogP14.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.99
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)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)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-3-amine
CID 174255023
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-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine
CID 174254871
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)-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-(5,5-dimethyldibenzothiophen-2-yl)-9-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 174328248
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-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]dibenzothiophen-2-amine
CID 168810264

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine (CID 174255059) is N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2cccc3sc4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6(c7ccccc7)CCCCCC6)cc5)cc4c23)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is MTDASXNYLCGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47NS/c1-2-13-34-49(33-12-1,39-19-10-5-11-20-39)40-25-29-42(30-26-40)50(41-27-23-37(24-28-41)36-15-6-3-7-16-36)43-31-32-46-45(35-43)48-44(21-14-22-47(48)51-46)38-17-8-4-9-18-38/h4-5,8-11,14,17-32,35-36H,1-3,6-7,12-13,15-16,33-34H2.
What are the key properties of N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine?
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 681.99 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 174255059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).