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

C44H27NOS — CID 164828184

IUPAC10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccccc4-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)ccc23)cc1
InChIInChI=1S/C44H27NOS/c1-3-12-28(13-4-1)29-22-24-34-35-25-23-30(27-41(35)47-40(34)26-29)32-16-7-8-17-33(32)36-19-11-20-38-42-44(46-43(36)38)37-18-9-10-21-39(37)45(42)31-14-5-2-6-15-31/h1-27H
InChIKeyDFHMDTOHHJRAGB-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

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

10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164828184) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164828184
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4ccccc4-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)ccc23)cc1
InChIInChI=1S/C44H27NOS/c1-3-12-28(13-4-1)29-22-24-34-35-25-23-30(27-41(35)47-40(34)26-29)32-16-7-8-17-33(32)36-19-11-20-38-42-44(46-43(36)38)37-18-9-10-21-39(37)45(42)31-14-5-2-6-15-31/h1-27H
InChIKeyDFHMDTOHHJRAGB-UHFFFAOYSA-N
XLogP12.90
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
CID 164827967
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
7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828059
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737
6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828069
8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465
8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828376
10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827769
10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
6-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828171

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164828184) is 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-c2ccc3c(c2)sc2cc(-c4ccccc4-c4cccc5c4oc4c6ccccc6n(-c6ccccc6)c54)ccc23)cc1.
What is the InChIKey of 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is DFHMDTOHHJRAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-12-28(13-4-1)29-22-24-34-35-25-23-30(27-41(35)47-40(34)26-29)32-16-7-8-17-33(32)36-19-11-20-38-42-44(46-43(36)38)37-18-9-10-21-39(37)45(42)31-14-5-2-6-15-31/h1-27H.
What are the key properties of 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole has a molecular weight of 617.77 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).