2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine

C38H21N3OS — CID 146391818

IUPAC2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1cccc3oc4ccccc4c13)sc1ccccc12
InChIInChI=1S/C38H21N3OS/c1-2-11-23-21-30-28(20-22(23)10-1)24-12-3-6-16-29(24)41(30)37-35(40-38-36(39-37)26-14-5-8-19-33(26)43-38)27-15-9-18-32-34(27)25-13-4-7-17-31(25)42-32/h1-21H
InChIKeyJYQBYPIXHZBVEC-UHFFFAOYSA-N
MW567.67 g/mol
LogP10.66
Rot. Bonds2

About 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine

2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 146391818) has the molecular formula C38H21N3OS and a molecular weight of 567.67 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine
PubChem CID146391818
Molecular FormulaC38H21N3OS
Molecular Weight567.67 g/mol
Exact Mass567.14
IUPAC Name2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1cccc3oc4ccccc4c13)sc1ccccc12
InChIInChI=1S/C38H21N3OS/c1-2-11-23-21-30-28(20-22(23)10-1)24-12-3-6-16-29(24)41(30)37-35(40-38-36(39-37)26-14-5-8-19-33(26)43-38)27-15-9-18-32-34(27)25-13-4-7-17-31(25)42-32/h1-21H
InChIKeyJYQBYPIXHZBVEC-UHFFFAOYSA-N
XLogP10.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[b]carbazol-5-yl-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391659
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
2-benzo[b]carbazol-5-yl-3-phenanthren-3-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146181623
11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
2-benzo[b]carbazol-5-yl-3-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 149083307
5-[1-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714660
9-(3-dibenzofuran-1-ylquinoxalin-2-yl)carbazole
CID 166849499
5-[1-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163593137
3-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391949
3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-2-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433907
3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433474
3-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391929

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine (CID 146391818) is 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1cccc3oc4ccccc4c13)sc1ccccc12.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is JYQBYPIXHZBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3OS/c1-2-11-23-21-30-28(20-22(23)10-1)24-12-3-6-16-29(24)41(30)37-35(40-38-36(39-37)26-14-5-8-19-33(26)43-38)27-15-9-18-32-34(27)25-13-4-7-17-31(25)42-32/h1-21H.
What are the key properties of 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine?
2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 567.67 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 146391818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).