7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole

C32H19NOS — CID 164828059

IUPAC7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4cc(-c5ccc6c(c5)sc5ccccc56)ccc4c32)cc1
InChIInChI=1S/C32H19NOS/c1-2-8-22(9-3-1)33-27-12-6-4-11-25(27)32-31(33)26-17-15-20(18-28(26)34-32)21-14-16-24-23-10-5-7-13-29(23)35-30(24)19-21/h1-19H
InChIKeyQWPUTSSPFCZGKS-UHFFFAOYSA-N
MW465.58 g/mol
LogP9.56
Rot. Bonds2

About 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole

7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole (PubChem CID 164828059) has the molecular formula C32H19NOS and a molecular weight of 465.58 g/mol. Its IUPAC name is 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
PubChem CID164828059
Molecular FormulaC32H19NOS
Molecular Weight465.58 g/mol
Exact Mass465.12
IUPAC Name7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3oc4cc(-c5ccc6c(c5)sc5ccccc56)ccc4c32)cc1
InChIInChI=1S/C32H19NOS/c1-2-8-22(9-3-1)33-27-12-6-4-11-25(27)32-31(33)26-17-15-20(18-28(26)34-32)21-14-16-24-23-10-5-7-13-29(23)35-30(24)19-21/h1-19H
InChIKeyQWPUTSSPFCZGKS-UHFFFAOYSA-N
XLogP9.56
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-7-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827948
8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465
10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828239
10-phenyl-6-(7-phenyldibenzothiophen-3-yl)-[1]benzofuro[3,2-b]indole
CID 164827967
9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163441133
10-phenyl-6-[2-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828184
10-phenyl-8-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164827955
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
9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
CID 170284863
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole?
The IUPAC name of 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole (CID 164828059) is 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole is c1ccc(-n2c3ccccc3c3oc4cc(-c5ccc6c(c5)sc5ccccc56)ccc4c32)cc1.
What is the InChIKey of 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole?
The InChIKey is QWPUTSSPFCZGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS/c1-2-8-22(9-3-1)33-27-12-6-4-11-25(27)32-31(33)26-17-15-20(18-28(26)34-32)21-14-16-24-23-10-5-7-13-29(23)35-30(24)19-21/h1-19H.
What are the key properties of 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole?
7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole has a molecular weight of 465.58 g/mol, XLogP of 9.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 164828059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).