3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine

C43H24N4OS — CID 137433597

IUPAC3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc(-c2ccc3c(c2)sc2nc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccc5oc6ccccc6c5c4)nc23)nc1
InChIInChI=1S/C43H24N4OS/c1-2-10-26-23-36-32(21-25(26)9-1)29-11-3-5-14-35(29)47(36)42-40(28-17-19-38-33(22-28)30-12-4-6-15-37(30)48-38)45-41-31-18-16-27(34-13-7-8-20-44-34)24-39(31)49-43(41)46-42/h1-24H
InChIKeyBXBWEOIUTORQAG-UHFFFAOYSA-N
MW644.76 g/mol
LogP11.72
Rot. Bonds3

About 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine

3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 137433597) has the molecular formula C43H24N4OS and a molecular weight of 644.76 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine
PubChem CID137433597
Molecular FormulaC43H24N4OS
Molecular Weight644.76 g/mol
Exact Mass644.17
IUPAC Name3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1ccc(-c2ccc3c(c2)sc2nc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccc5oc6ccccc6c5c4)nc23)nc1
InChIInChI=1S/C43H24N4OS/c1-2-10-26-23-36-32(21-25(26)9-1)29-11-3-5-14-35(29)47(36)42-40(28-17-19-38-33(22-28)30-12-4-6-15-37(30)48-38)45-41-31-18-16-27(34-13-7-8-20-44-34)24-39(31)49-43(41)46-42/h1-24H
InChIKeyBXBWEOIUTORQAG-UHFFFAOYSA-N
XLogP11.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.76
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine (CID 137433597) is 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine is c1ccc(-c2ccc3c(c2)sc2nc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccc5oc6ccccc6c5c4)nc23)nc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is BXBWEOIUTORQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4OS/c1-2-10-26-23-36-32(21-25(26)9-1)29-11-3-5-14-35(29)47(36)42-40(28-17-19-38-33(22-28)30-12-4-6-15-37(30)48-38)45-41-31-18-16-27(34-13-7-8-20-44-34)24-39(31)49-43(41)46-42/h1-24H.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 644.76 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-2-dibenzofuran-2-yl-7-pyridin-2-yl-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 137433597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).