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

C38H23NOS — CID 164828539

IUPAC9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C38H23NOS/c1-2-9-27(10-3-1)39-32-14-6-4-12-31(32)38-37(39)36-28(13-8-16-35(36)41-38)25-19-17-24(18-20-25)26-21-22-30-29-11-5-7-15-33(29)40-34(30)23-26/h1-23H
InChIKeyAITWCAIWBNDNJQ-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.23
Rot. Bonds3

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

9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164828539) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164828539
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC Name9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C38H23NOS/c1-2-9-27(10-3-1)39-32-14-6-4-12-31(32)38-37(39)36-28(13-8-16-35(36)41-38)25-19-17-24(18-20-25)26-21-22-30-29-11-5-7-15-33(29)40-34(30)23-26/h1-23H
InChIKeyAITWCAIWBNDNJQ-UHFFFAOYSA-N
XLogP11.23
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-dibenzofuran-3-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
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827732
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
9-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828049
10-phenyl-9-[3-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828366
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
9-(4-dibenzofuran-2-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827733
6-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828236

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164828539) is 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4cccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4c32)cc1.
What is the InChIKey of 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is AITWCAIWBNDNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/c1-2-9-27(10-3-1)39-32-14-6-4-12-31(32)38-37(39)36-28(13-8-16-35(36)41-38)25-19-17-24(18-20-25)26-21-22-30-29-11-5-7-15-33(29)40-34(30)23-26/h1-23H.
What are the key properties of 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole?
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 541.68 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164828539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).