9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole

C36H21NOS — CID 170284863

IUPAC9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
SMILESc1ccc2c(c1)sc1cc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)ccc12
InChIInChI=1S/C36H21NOS/c1-4-12-30-24(8-1)25-9-2-5-13-31(25)37(30)32-14-7-11-29-26-18-16-22(20-33(26)38-36(29)32)23-17-19-28-27-10-3-6-15-34(27)39-35(28)21-23/h1-21H
InChIKeyGHEAWOZGTHQQSP-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole

9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole (PubChem CID 170284863) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
PubChem CID170284863
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole
SMILESc1ccc2c(c1)sc1cc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)ccc12
InChIInChI=1S/C36H21NOS/c1-4-12-30-24(8-1)25-9-2-5-13-31(25)37(30)32-14-7-11-29-26-18-16-22(20-33(26)38-36(29)32)23-17-19-28-27-10-3-6-15-34(27)39-35(28)21-23/h1-21H
InChIKeyGHEAWOZGTHQQSP-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

6-carbazol-9-yl-2-dibenzothiophen-3-yldibenzofuran-4-carbonitrile
CID 149287115
12-(7-dibenzothiophen-4-yldibenzofuran-4-yl)-[1]benzofuro[3,2-a]carbazole
CID 170277042
7-dibenzothiophen-3-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828059
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 146395791
9-(7-dibenzofuran-2-yldibenzothiophen-1-yl)carbazole
CID 170688601
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
CID 90321576
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole?
The IUPAC name of 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole (CID 170284863) is 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole?
The canonical SMILES for 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole is c1ccc2c(c1)sc1cc(-c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)ccc12.
What is the InChIKey of 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole?
The InChIKey is GHEAWOZGTHQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-12-30-24(8-1)25-9-2-5-13-31(25)37(30)32-14-7-11-29-26-18-16-22(20-33(26)38-36(29)32)23-17-19-28-27-10-3-6-15-34(27)39-35(28)21-23/h1-21H.
What are the key properties of 9-(7-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole?
9-(7-dibenzothiophen-3-yldibenzofuran-4-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-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 170284863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).