6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C42H25NS2 — CID 164828091

IUPAC6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccc(-c6ccc7c(c6)sc6cc8ccccc8cc67)cc5)cccc4c32)cc1
InChIInChI=1S/C42H25NS2/c1-2-11-31(12-3-1)43-37-16-7-6-13-34(37)42-40(43)35-15-8-14-32(41(35)45-42)27-19-17-26(18-20-27)30-21-22-33-36-23-28-9-4-5-10-29(28)24-39(36)44-38(33)25-30/h1-25H
InChIKeyRHYMIPWOEGXKKC-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.85
Rot. Bonds3

About 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828091) has the molecular formula C42H25NS2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828091
Molecular FormulaC42H25NS2
Molecular Weight607.80 g/mol
Exact Mass607.14
IUPAC Name6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccc(-c6ccc7c(c6)sc6cc8ccccc8cc67)cc5)cccc4c32)cc1
InChIInChI=1S/C42H25NS2/c1-2-11-31(12-3-1)43-37-16-7-6-13-34(37)42-40(43)35-15-8-14-32(41(35)45-42)27-19-17-26(18-20-27)30-21-22-33-36-23-28-9-4-5-10-29(28)24-39(36)44-38(33)25-30/h1-25H
InChIKeyRHYMIPWOEGXKKC-UHFFFAOYSA-N
XLogP12.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole 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

7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
6-(2-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828379
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
9-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828049
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296120
7-(10-naphthalen-1-ylanthracen-9-yl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 166873057
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline
CID 157069512
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828091) is 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4c(-c5ccc(-c6ccc7c(c6)sc6cc8ccccc8cc67)cc5)cccc4c32)cc1.
What is the InChIKey of 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is RHYMIPWOEGXKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS2/c1-2-11-31(12-3-1)43-37-16-7-6-13-34(37)42-40(43)35-15-8-14-32(41(35)45-42)27-19-17-26(18-20-27)30-21-22-33-36-23-28-9-4-5-10-29(28)24-39(36)44-38(33)25-30/h1-25H.
What are the key properties of 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 607.80 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).