10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole

C38H23NOS — CID 164827967

IUPAC10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)ccc23)cc1
InChIInChI=1S/C38H23NOS/c1-3-10-24(11-4-1)25-18-20-29-30-21-19-26(23-35(30)41-34(29)22-25)28-15-9-16-32-36-38(40-37(28)32)31-14-7-8-17-33(31)39(36)27-12-5-2-6-13-27/h1-23H
InChIKeyODJXPUYEGGYBLN-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.23
Rot. Bonds3

About 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole

10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole (PubChem CID 164827967) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
PubChem CID164827967
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC Name10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)ccc23)cc1
InChIInChI=1S/C38H23NOS/c1-3-10-24(11-4-1)25-18-20-29-30-21-19-26(23-35(30)41-34(29)22-25)28-15-9-16-32-36-38(40-37(28)32)31-14-7-8-17-33(31)39(36)27-12-5-2-6-13-27/h1-23H
InChIKeyODJXPUYEGGYBLN-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-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828184
10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827948
10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828239
6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828069
7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828059
8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465
10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827769
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
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
10-phenyl-8-(6-phenyldibenzofuran-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828443
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole (CID 164827967) is 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole is c1ccc(-c2ccc3c(c2)sc2cc(-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)ccc23)cc1.
What is the InChIKey of 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole?
The InChIKey is ODJXPUYEGGYBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/c1-3-10-24(11-4-1)25-18-20-29-30-21-19-26(23-35(30)41-34(29)22-25)28-15-9-16-32-36-38(40-37(28)32)31-14-7-8-17-33(31)39(36)27-12-5-2-6-13-27/h1-23H.
What are the key properties of 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole?
10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[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 10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164827967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).