9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole

C36H21NOS — CID 170278114

IUPAC9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)oc1cc(-c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc12
InChIInChI=1S/C36H21NOS/c1-4-10-31-25(7-1)26-8-2-5-11-32(26)37(31)24-15-18-35-30(21-24)29-17-14-23(20-36(29)39-35)22-13-16-28-27-9-3-6-12-33(27)38-34(28)19-22/h1-21H
InChIKeyAZHKQBVBMOLKJQ-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole

9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole (PubChem CID 170278114) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
PubChem CID170278114
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)oc1cc(-c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc12
InChIInChI=1S/C36H21NOS/c1-4-10-31-25(7-1)26-8-2-5-11-32(26)37(31)24-15-18-35-30(21-24)29-17-14-23(20-36(29)39-35)22-13-16-28-27-9-3-6-12-33(27)38-34(28)19-22/h1-21H
InChIKeyAZHKQBVBMOLKJQ-UHFFFAOYSA-N
XLogP10.72
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole?
The IUPAC name of 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole (CID 170278114) is 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole is c1ccc2c(c1)oc1cc(-c3ccc4c(c3)sc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc12.
What is the InChIKey of 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole?
The InChIKey is AZHKQBVBMOLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-10-31-25(7-1)26-8-2-5-11-32(26)37(31)24-15-18-35-30(21-24)29-17-14-23(20-36(29)39-35)22-13-16-28-27-9-3-6-12-33(27)38-34(28)19-22/h1-21H.
What are the key properties of 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole?
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole has a molecular weight of 515.64 g/mol, XLogP of 10.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 170278114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).