5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole

C34H19N5S — CID 139361567

IUPAC5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nnc(-c2cccc3sc4ccccc4c23)c2nccnc12
InChIInChI=1S/C34H19N5S/c1-2-9-21-19-27-25(18-20(21)8-1)22-10-3-5-13-26(22)39(27)34-33-32(35-16-17-36-33)31(37-38-34)24-12-7-15-29-30(24)23-11-4-6-14-28(23)40-29/h1-19H
InChIKeyQZQKWVBEUDWIHH-UHFFFAOYSA-N
MW529.63 g/mol
LogP8.70
Rot. Bonds2

About 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole

5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole (PubChem CID 139361567) has the molecular formula C34H19N5S and a molecular weight of 529.63 g/mol. Its IUPAC name is 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole
PubChem CID139361567
Molecular FormulaC34H19N5S
Molecular Weight529.63 g/mol
Exact Mass529.14
IUPAC Name5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nnc(-c2cccc3sc4ccccc4c23)c2nccnc12
InChIInChI=1S/C34H19N5S/c1-2-9-21-19-27-25(18-20(21)8-1)22-10-3-5-13-26(22)39(27)34-33-32(35-16-17-36-33)31(37-38-34)24-12-7-15-29-30(24)23-11-4-6-14-28(23)40-29/h1-19H
InChIKeyQZQKWVBEUDWIHH-UHFFFAOYSA-N
XLogP8.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.63
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole?
The IUPAC name of 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole (CID 139361567) is 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole?
The canonical SMILES for 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nnc(-c2cccc3sc4ccccc4c23)c2nccnc12.
What is the InChIKey of 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole?
The InChIKey is QZQKWVBEUDWIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5S/c1-2-9-21-19-27-25(18-20(21)8-1)22-10-3-5-13-26(22)39(27)34-33-32(35-16-17-36-33)31(37-38-34)24-12-7-15-29-30(24)23-11-4-6-14-28(23)40-29/h1-19H.
What are the key properties of 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole?
5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole has a molecular weight of 529.63 g/mol, XLogP of 8.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzothiophen-1-ylpyrazino[2,3-d]pyridazin-5-yl)benzo[b]carbazole is sourced from PubChem (CID 139361567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).