5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole

C41H27N3S — CID 137433801

IUPAC5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4sc5ccccc5c4c3)nc21
InChIInChI=1S/C41H27N3S/c1-41(2)32-16-8-5-15-29(32)38-39(41)42-37(26-19-20-36-31(22-26)28-14-7-10-18-35(28)45-36)40(43-38)44-33-17-9-6-13-27(33)30-21-24-11-3-4-12-25(24)23-34(30)44/h3-23H,1-2H3
InChIKeyQTGKTWFNXPIASS-UHFFFAOYSA-N
MW593.76 g/mol
LogP11.07
Rot. Bonds2

About 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole

5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole (PubChem CID 137433801) has the molecular formula C41H27N3S and a molecular weight of 593.76 g/mol. Its IUPAC name is 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
PubChem CID137433801
Molecular FormulaC41H27N3S
Molecular Weight593.76 g/mol
Exact Mass593.19
IUPAC Name5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4sc5ccccc5c4c3)nc21
InChIInChI=1S/C41H27N3S/c1-41(2)32-16-8-5-15-29(32)38-39(41)42-37(26-19-20-36-31(22-26)28-14-7-10-18-35(28)45-36)40(43-38)44-33-17-9-6-13-27(33)30-21-24-11-3-4-12-25(24)23-34(30)44/h3-23H,1-2H3
InChIKeyQTGKTWFNXPIASS-UHFFFAOYSA-N
XLogP11.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole (CID 137433801) is 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4sc5ccccc5c4c3)nc21.
What is the InChIKey of 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
The InChIKey is QTGKTWFNXPIASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3S/c1-41(2)32-16-8-5-15-29(32)38-39(41)42-37(26-19-20-36-31(22-26)28-14-7-10-18-35(28)45-36)40(43-38)44-33-17-9-6-13-27(33)30-21-24-11-3-4-12-25(24)23-34(30)44/h3-23H,1-2H3.
What are the key properties of 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole has a molecular weight of 593.76 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole is sourced from PubChem (CID 137433801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).