3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine

C43H24N4OS — CID 137433706

IUPAC3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1cncc(-c2ccc3c(c2)oc2nc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccc5c(c4)sc4ccccc45)nc23)c1
InChIInChI=1S/C43H24N4OS/c1-2-9-26-21-36-34(20-25(26)8-1)30-11-3-5-13-35(30)47(36)42-40(28-16-17-32-31-12-4-6-14-38(31)49-39(32)23-28)45-41-33-18-15-27(29-10-7-19-44-24-29)22-37(33)48-43(41)46-42/h1-24H
InChIKeyZXMQJWPMCBHKNI-UHFFFAOYSA-N
MW644.76 g/mol
LogP11.72
Rot. Bonds3

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

3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 137433706) 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-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID137433706
Molecular FormulaC43H24N4OS
Molecular Weight644.76 g/mol
Exact Mass644.17
IUPAC Name3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1cncc(-c2ccc3c(c2)oc2nc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccc5c(c4)sc4ccccc45)nc23)c1
InChIInChI=1S/C43H24N4OS/c1-2-9-26-21-36-34(20-25(26)8-1)30-11-3-5-13-35(30)47(36)42-40(28-16-17-32-31-12-4-6-14-38(31)49-39(32)23-28)45-41-33-18-15-27(29-10-7-19-44-24-29)22-37(33)48-43(41)46-42/h1-24H
InChIKeyZXMQJWPMCBHKNI-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-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine (CID 137433706) is 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine is c1cncc(-c2ccc3c(c2)oc2nc(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccc5c(c4)sc4ccccc45)nc23)c1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is ZXMQJWPMCBHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4OS/c1-2-9-26-21-36-34(20-25(26)8-1)30-11-3-5-13-35(30)47(36)42-40(28-16-17-32-31-12-4-6-14-38(31)49-39(32)23-28)45-41-33-18-15-27(29-10-7-19-44-24-29)22-37(33)48-43(41)46-42/h1-24H.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[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-dibenzothiophen-3-yl-7-pyridin-3-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 137433706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).