3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine

C38H21N3OS — CID 137433474

IUPAC3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2oc3ccccc3c2nc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C38H21N3OS/c1-2-10-23-21-31-28(19-22(23)9-1)25-11-3-6-14-30(25)41(31)37-35(39-36-27-13-4-7-15-32(27)42-38(36)40-37)24-17-18-34-29(20-24)26-12-5-8-16-33(26)43-34/h1-21H
InChIKeyYQBZNJZCZCRSAK-UHFFFAOYSA-N
MW567.67 g/mol
LogP10.66
Rot. Bonds2

About 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine

3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 137433474) has the molecular formula C38H21N3OS and a molecular weight of 567.67 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID137433474
Molecular FormulaC38H21N3OS
Molecular Weight567.67 g/mol
Exact Mass567.14
IUPAC Name3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2oc3ccccc3c2nc1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C38H21N3OS/c1-2-10-23-21-31-28(19-22(23)9-1)25-11-3-6-14-30(25)41(31)37-35(39-36-27-13-4-7-15-32(27)42-38(36)40-37)24-17-18-34-29(20-24)26-12-5-8-16-33(26)43-34/h1-21H
InChIKeyYQBZNJZCZCRSAK-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

3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
CID 146391647
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 162472770
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
2-benzo[b]carbazol-5-yl-3-phenanthren-3-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146181623
5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
CID 137433801
2-(4-benzo[b]carbazol-5-ylphenyl)-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 146392014
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
5-[3-dibenzothiophen-2-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430529
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163586127
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347914
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 139361418

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine (CID 137433474) is 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2oc3ccccc3c2nc1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is YQBZNJZCZCRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3OS/c1-2-10-23-21-31-28(19-22(23)9-1)25-11-3-6-14-30(25)41(31)37-35(39-36-27-13-4-7-15-32(27)42-38(36)40-37)24-17-18-34-29(20-24)26-12-5-8-16-33(26)43-34/h1-21H.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[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 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 137433474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).