6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C42H25NOS — CID 164828236

IUPAC6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)cccc4c32)cc1
InChIInChI=1S/C42H25NOS/c1-2-10-30(11-3-1)43-36-16-7-6-13-33(36)42-40(43)35-15-8-14-32(41(35)45-42)28-19-17-26(18-20-28)29-21-23-34-38(25-29)44-37-24-22-27-9-4-5-12-31(27)39(34)37/h1-25H
InChIKeyLORSAKXQXLBANT-UHFFFAOYSA-N
MW591.74 g/mol
LogP12.39
Rot. Bonds3

About 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828236) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828236
Molecular FormulaC42H25NOS
Molecular Weight591.74 g/mol
Exact Mass591.17
IUPAC Name6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)cccc4c32)cc1
InChIInChI=1S/C42H25NOS/c1-2-10-30(11-3-1)43-36-16-7-6-13-33(36)42-40(43)35-15-8-14-32(41(35)45-42)28-19-17-26(18-20-28)29-21-23-34-38(25-29)44-37-24-22-27-9-4-5-12-31(27)39(34)37/h1-25H
InChIKeyLORSAKXQXLBANT-UHFFFAOYSA-N
XLogP12.39
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-naphtho[2,1-b][1]benzofuran-9-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

10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827809
8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827902
10-phenyl-6-[4-(8-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828134
7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828223
6-(4-naphtho[2,3-b][1]benzothiol-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828091
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-9-phenylcarbazole
CID 164950924
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
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
9-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828049

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828236) is 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4c(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)cccc4c32)cc1.
What is the InChIKey of 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is LORSAKXQXLBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-2-10-30(11-3-1)43-36-16-7-6-13-33(36)42-40(43)35-15-8-14-32(41(35)45-42)28-19-17-26(18-20-28)29-21-23-34-38(25-29)44-37-24-22-27-9-4-5-12-31(27)39(34)37/h1-25H.
What are the key properties of 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 591.74 g/mol, XLogP of 12.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).