8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

C38H23NOS — CID 164828465

IUPAC8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4ccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)cc4c32)cc1
InChIInChI=1S/C38H23NOS/c1-2-11-28(12-3-1)39-33-15-6-4-14-31(33)38-37(39)32-22-26(18-20-34(32)40-38)24-9-8-10-25(21-24)27-17-19-30-29-13-5-7-16-35(29)41-36(30)23-27/h1-23H
InChIKeyWJJWTMZKCJRSLU-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.23
Rot. Bonds3

About 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole

8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (PubChem CID 164828465) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
PubChem CID164828465
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC Name8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4ccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)cc4c32)cc1
InChIInChI=1S/C38H23NOS/c1-2-11-28(12-3-1)39-33-15-6-4-14-31(33)38-37(39)32-22-26(18-20-34(32)40-38)24-9-8-10-25(21-24)27-17-19-30-29-13-5-7-16-35(29)41-36(30)23-27/h1-23H
InChIKeyWJJWTMZKCJRSLU-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-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
10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827948
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
CID 164827967
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
12-(3-dibenzothiophen-3-ylphenyl)-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359213
12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760
10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828184
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
10-phenyl-8-(6-phenyldibenzofuran-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828443

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The IUPAC name of 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole (CID 164828465) is 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3oc4ccc(-c5cccc(-c6ccc7c(c6)sc6ccccc67)c5)cc4c32)cc1.
What is the InChIKey of 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
The InChIKey is WJJWTMZKCJRSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/c1-2-11-28(12-3-1)39-33-15-6-4-14-31(33)38-37(39)32-22-26(18-20-34(32)40-38)24-9-8-10-25(21-24)27-17-19-30-29-13-5-7-16-35(29)41-36(30)23-27/h1-23H.
What are the key properties of 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole?
8-(3-dibenzothiophen-3-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 8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).