9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole

C36H21NOS — CID 170276632

IUPAC9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)c2c(c1)oc1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C36H21NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-32-29(21-23)36-24(11-7-14-33(36)38-32)22-16-18-28-27-10-3-6-15-34(27)39-35(28)20-22/h1-21H
InChIKeyRYBWECLWSGPDOA-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.72
Rot. Bonds2

About 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole

9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole (PubChem CID 170276632) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
PubChem CID170276632
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)c2c(c1)oc1ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C36H21NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-32-29(21-23)36-24(11-7-14-33(36)38-32)22-16-18-28-27-10-3-6-15-34(27)39-35(28)20-22/h1-21H
InChIKeyRYBWECLWSGPDOA-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

9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
3-[9-[9-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768734
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
9-(7-dibenzofuran-3-yldibenzothiophen-2-yl)carbazole
CID 170278114
9-dibenzothiophen-3-yl-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301066
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 169011197
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole
CID 165166733
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
The IUPAC name of 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole (CID 170276632) is 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole is c1cc(-c2ccc3c(c2)sc2ccccc23)c2c(c1)oc1ccc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
The InChIKey is RYBWECLWSGPDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-4-12-30-25(8-1)26-9-2-5-13-31(26)37(30)23-17-19-32-29(21-23)36-24(11-7-14-33(36)38-32)22-16-18-28-27-10-3-6-15-34(27)39-35(28)20-22/h1-21H.
What are the key properties of 9-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole?
9-(9-dibenzothiophen-3-yldibenzofuran-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-(9-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 170276632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).