6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

C38H23NOS — CID 164828069

IUPAC6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4c(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cccc4c32)cc1
InChIInChI=1S/C38H23NOS/c1-2-13-26(14-3-1)39-33-21-6-4-16-31(33)37-35(39)32-20-9-17-27(36(32)40-37)24-11-8-12-25(23-24)28-18-10-19-30-29-15-5-7-22-34(29)41-38(28)30/h1-23H
InChIKeyUTOXZJKNKUTMCJ-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.23
Rot. Bonds3

About 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (PubChem CID 164828069) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
PubChem CID164828069
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC Name6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4c(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cccc4c32)cc1
InChIInChI=1S/C38H23NOS/c1-2-13-26(14-3-1)39-33-21-6-4-16-31(33)37-35(39)32-20-9-17-27(36(32)40-37)24-11-8-12-25(23-24)28-18-10-19-30-29-15-5-7-22-34(29)41-38(28)30/h1-23H
InChIKeyUTOXZJKNKUTMCJ-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

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Related Compounds

10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827769
10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
CID 164827967
6-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828171
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737
10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828184
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
6-(3-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827720
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
8-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828044
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697

Frequently Asked Questions

What is the IUPAC name of 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The IUPAC name of 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (CID 164828069) is 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3oc4c(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cccc4c32)cc1.
What is the InChIKey of 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The InChIKey is UTOXZJKNKUTMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/c1-2-13-26(14-3-1)39-33-21-6-4-16-31(33)37-35(39)32-20-9-17-27(36(32)40-37)24-11-8-12-25(23-24)28-18-10-19-30-29-15-5-7-22-34(29)41-38(28)30/h1-23H.
What are the key properties of 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[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 6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).