8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

C42H25NOS — CID 164827902

IUPAC8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4ccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)cc4c32)cc1
InChIInChI=1S/C42H25NOS/c1-2-9-31(10-3-1)43-36-13-7-6-12-33(36)42-41(43)35-24-29(20-23-39(35)45-42)26-14-16-27(17-15-26)30-18-21-34-38(25-30)44-37-22-19-28-8-4-5-11-32(28)40(34)37/h1-25H
InChIKeyGRMFOPBDSDGJQK-UHFFFAOYSA-N
MW591.74 g/mol
LogP12.39
Rot. Bonds3

About 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole

8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164827902) has the molecular formula C42H25NOS and a molecular weight of 591.74 g/mol. Its IUPAC name is 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164827902
Molecular FormulaC42H25NOS
Molecular Weight591.74 g/mol
Exact Mass591.17
IUPAC Name8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4ccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)cc4c32)cc1
InChIInChI=1S/C42H25NOS/c1-2-9-31(10-3-1)43-36-13-7-6-12-33(36)42-41(43)35-24-29(20-23-39(35)45-42)26-14-16-27(17-15-26)30-18-21-34-38(25-30)44-37-22-19-28-8-4-5-11-32(28)40(34)37/h1-25H
InChIKeyGRMFOPBDSDGJQK-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 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

9-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827809
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236
8-dibenzofuran-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827969
7-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828600
15-[4-(3,5-diphenylphenyl)phenyl]-12-thia-15-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122466080
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
7-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828047
6-(3-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828223
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
23-(4-phenylphenyl)-12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465779
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 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164827902) is 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4ccc(-c5ccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)cc5)cc4c32)cc1.
What is the InChIKey of 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is GRMFOPBDSDGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS/c1-2-9-31(10-3-1)43-36-13-7-6-12-33(36)42-41(43)35-24-29(20-23-39(35)45-42)26-14-16-27(17-15-26)30-18-21-34-38(25-30)44-37-22-19-28-8-4-5-11-32(28)40(34)37/h1-25H.
What are the key properties of 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
8-(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 8-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).