N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine

C50H37NS — CID 170300953

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4cc5cc-5c4c3)cc2)c2cccc3c2sc2ccccc23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C50H37NS/c1-2-11-33(12-3-1)39-17-8-13-34-14-9-18-42(49(34)39)40-15-4-6-20-46(40)51(47-21-10-19-43-41-16-5-7-22-48(41)52-50(43)47)38-27-25-32(26-28-38)35-23-24-36-29-37-31-45(37)44(36)30-35/h4-10,13-31,33H,1-3,11-12H2
InChIKeyFKRXYFVTALCMJX-UHFFFAOYSA-N
MW683.92 g/mol
LogP15.19
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine (PubChem CID 170300953) has the molecular formula C50H37NS and a molecular weight of 683.92 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine
PubChem CID170300953
Molecular FormulaC50H37NS
Molecular Weight683.92 g/mol
Exact Mass683.26
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4cc5cc-5c4c3)cc2)c2cccc3c2sc2ccccc23)c(-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C50H37NS/c1-2-11-33(12-3-1)39-17-8-13-34-14-9-18-42(49(34)39)40-15-4-6-20-46(40)51(47-21-10-19-43-41-16-5-7-22-48(41)52-50(43)47)38-27-25-32(26-28-38)35-23-24-36-29-37-31-45(37)44(36)30-35/h4-10,13-31,33H,1-3,11-12H2
InChIKeyFKRXYFVTALCMJX-UHFFFAOYSA-N
XLogP15.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.92
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-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-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-2-phenylaniline
CID 170296118
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170295830
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-4-amine
CID 170300950
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170300693
2-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170295842
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-2-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)aniline
CID 170300719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 170304636
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine
CID 170300822
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170303009
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine (CID 170300953) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine is c1ccc(N(c2ccc(-c3ccc4cc5cc-5c4c3)cc2)c2cccc3c2sc2ccccc23)c(-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is FKRXYFVTALCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NS/c1-2-11-33(12-3-1)39-17-8-13-34-14-9-18-42(49(34)39)40-15-4-6-20-46(40)51(47-21-10-19-43-41-16-5-7-22-48(41)52-50(43)47)38-27-25-32(26-28-38)35-23-24-36-29-37-31-45(37)44(36)30-35/h4-10,13-31,33H,1-3,11-12H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 683.92 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-cyclopropa[a]inden-3-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 170300953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).