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

C44H27NOS — CID 164827769

IUPAC10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2cccc3c2sc2cccc(-c4cccc(-c5cccc6c5oc5c7ccccc7n(-c7ccccc7)c65)c4)c23)cc1
InChIInChI=1S/C44H27NOS/c1-3-13-28(14-4-1)34-22-11-23-36-40-32(20-12-26-39(40)47-44(34)36)29-15-9-16-30(27-29)33-21-10-24-37-41-43(46-42(33)37)35-19-7-8-25-38(35)45(41)31-17-5-2-6-18-31/h1-27H
InChIKeyFFAVITVPTLMHDU-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

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

10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole (PubChem CID 164827769) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
PubChem CID164827769
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-c2cccc3c2sc2cccc(-c4cccc(-c5cccc6c5oc5c7ccccc7n(-c7ccccc7)c65)c4)c23)cc1
InChIInChI=1S/C44H27NOS/c1-3-13-28(14-4-1)34-22-11-23-36-40-32(20-12-26-39(40)47-44(34)36)29-15-9-16-30(27-29)33-21-10-24-37-41-43(46-42(33)37)35-19-7-8-25-38(35)45(41)31-17-5-2-6-18-31/h1-27H
InChIKeyFFAVITVPTLMHDU-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

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Related Compounds

6-(3-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828069
10-phenyl-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
6-(3-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827720
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737
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
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-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828184
10-phenyl-8-(6-phenyldibenzofuran-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828443
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole (CID 164827769) is 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole is c1ccc(-c2cccc3c2sc2cccc(-c4cccc(-c5cccc6c5oc5c7ccccc7n(-c7ccccc7)c65)c4)c23)cc1.
What is the InChIKey of 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole?
The InChIKey is FFAVITVPTLMHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-13-28(14-4-1)34-22-11-23-36-40-32(20-12-26-39(40)47-44(34)36)29-15-9-16-30(27-29)33-21-10-24-37-41-43(46-42(33)37)35-19-7-8-25-38(35)45(41)31-17-5-2-6-18-31/h1-27H.
What are the key properties of 10-phenyl-6-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole?
10-phenyl-6-[3-(6-phenyldibenzothiophen-1-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-[3-(6-phenyldibenzothiophen-1-yl)phenyl]-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164827769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).