7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole

C38H21N3OS — CID 122435490

IUPAC7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1cc(-c2cccc3c2sc2c(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cccc23)c2cncnc2c1
InChIInChI=1S/C38H21N3OS/c1-3-15-32-23(8-1)28-18-29-24-9-2-4-17-35(24)42-36(29)19-34(28)41(32)33-16-7-13-27-26-12-5-11-25(37(26)43-38(27)33)22-10-6-14-31-30(22)20-39-21-40-31/h1-21H
InChIKeyPMAQKPPAFOYSIV-UHFFFAOYSA-N
MW567.67 g/mol
LogP10.66
Rot. Bonds2

About 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole

7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 122435490) has the molecular formula C38H21N3OS and a molecular weight of 567.67 g/mol. Its IUPAC name is 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID122435490
Molecular FormulaC38H21N3OS
Molecular Weight567.67 g/mol
Exact Mass567.14
IUPAC Name7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1cc(-c2cccc3c2sc2c(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cccc23)c2cncnc2c1
InChIInChI=1S/C38H21N3OS/c1-3-15-32-23(8-1)28-18-29-24-9-2-4-17-35(24)42-36(29)19-34(28)41(32)33-16-7-13-27-26-12-5-11-25(37(26)43-38(27)33)22-10-6-14-31-30(22)20-39-21-40-31/h1-21H
InChIKeyPMAQKPPAFOYSIV-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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Frequently Asked Questions

What is the IUPAC name of 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole (CID 122435490) is 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole is c1cc(-c2cccc3c2sc2c(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)cccc23)c2cncnc2c1.
What is the InChIKey of 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is PMAQKPPAFOYSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3OS/c1-3-15-32-23(8-1)28-18-29-24-9-2-4-17-35(24)42-36(29)19-34(28)41(32)33-16-7-13-27-26-12-5-11-25(37(26)43-38(27)33)22-10-6-14-31-30(22)20-39-21-40-31/h1-21H.
What are the key properties of 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole?
7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole 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 7-(6-quinazolin-5-yldibenzothiophen-4-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 122435490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).