9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole

C32H19NOS — CID 164827732

IUPAC9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5cccc6c5oc5ccccc56)c4c32)cc1
InChIInChI=1S/C32H19NOS/c1-2-10-20(11-3-1)33-26-17-6-4-13-25(26)32-30(33)29-22(14-9-19-28(29)35-32)24-16-8-15-23-21-12-5-7-18-27(21)34-31(23)24/h1-19H
InChIKeyTZUGJWSPAUNGAE-UHFFFAOYSA-N
MW465.58 g/mol
LogP9.56
Rot. Bonds2

About 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole

9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 164827732) has the molecular formula C32H19NOS and a molecular weight of 465.58 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID164827732
Molecular FormulaC32H19NOS
Molecular Weight465.58 g/mol
Exact Mass465.12
IUPAC Name9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3sc4cccc(-c5cccc6c5oc5ccccc56)c4c32)cc1
InChIInChI=1S/C32H19NOS/c1-2-10-20(11-3-1)33-26-17-6-4-13-25(26)32-30(33)29-22(14-9-19-28(29)35-32)24-16-8-15-23-21-12-5-7-18-27(21)34-31(23)24/h1-19H
InChIKeyTZUGJWSPAUNGAE-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-9-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827877
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
9-(4-dibenzofuran-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828539
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
8-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828044
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
10-phenyl-6-[6-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]indole
CID 164828249
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737
10-phenyl-9-(10-phenylanthracen-9-yl)-[1]benzothiolo[3,2-b]indole
CID 166872391
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 164827732) is 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole is c1ccc(-n2c3ccccc3c3sc4cccc(-c5cccc6c5oc5ccccc56)c4c32)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is TZUGJWSPAUNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS/c1-2-10-20(11-3-1)33-26-17-6-4-13-25(26)32-30(33)29-22(14-9-19-28(29)35-32)24-16-8-15-23-21-12-5-7-18-27(21)34-31(23)24/h1-19H.
What are the key properties of 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole?
9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[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 9-dibenzofuran-4-yl-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 164827732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).