N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine

C40H27NS — CID 169280675

IUPACN,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C40H27NS/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)41(31-18-8-3-9-19-31)39-37(30-16-6-2-7-17-30)33-20-10-11-21-34(33)40-38(39)35-22-12-13-23-36(35)42-40/h1-27H
InChIKeyHDCJJULVOKPHMP-UHFFFAOYSA-N
MW553.73 g/mol
LogP12.01
Rot. Bonds5

About N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine

N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine (PubChem CID 169280675) has the molecular formula C40H27NS and a molecular weight of 553.73 g/mol. Its IUPAC name is N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
PubChem CID169280675
Molecular FormulaC40H27NS
Molecular Weight553.73 g/mol
Exact Mass553.19
IUPAC NameN,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C40H27NS/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)41(31-18-8-3-9-19-31)39-37(30-16-6-2-7-17-30)33-20-10-11-21-34(33)40-38(39)35-22-12-13-23-36(35)42-40/h1-27H
InChIKeyHDCJJULVOKPHMP-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-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

5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
CID 169280526
N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
CID 169280735
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280394
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280424
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280514
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
3-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280771
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
The IUPAC name of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine (CID 169280675) is N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine.
What is the SMILES notation for N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
The canonical SMILES for N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine is c1ccc(-c2ccc(N(c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
The InChIKey is HDCJJULVOKPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS/c1-4-14-28(15-5-1)29-24-26-32(27-25-29)41(31-18-8-3-9-19-31)39-37(30-16-6-2-7-17-30)33-20-10-11-21-34(33)40-38(39)35-22-12-13-23-36(35)42-40/h1-27H.
What are the key properties of N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine?
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine has a molecular weight of 553.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine is sourced from PubChem (CID 169280675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).