11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole

C41H24N2OS — CID 118154187

IUPAC11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C41H24N2OS/c1-2-11-25(12-3-1)34-21-26(22-35(42-34)31-17-10-16-30-29-15-6-9-20-40(29)45-41(30)31)43-36-18-7-4-13-27(36)32-24-39-33(23-37(32)43)28-14-5-8-19-38(28)44-39/h1-24H
InChIKeyYLKUSEMOJFEFIM-UHFFFAOYSA-N
MW592.72 g/mol
LogP11.78
Rot. Bonds3

About 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole

11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 118154187) has the molecular formula C41H24N2OS and a molecular weight of 592.72 g/mol. Its IUPAC name is 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole
PubChem CID118154187
Molecular FormulaC41H24N2OS
Molecular Weight592.72 g/mol
Exact Mass592.16
IUPAC Name11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C41H24N2OS/c1-2-11-25(12-3-1)34-21-26(22-35(42-34)31-17-10-16-30-29-15-6-9-20-40(29)45-41(30)31)43-36-18-7-4-13-27(36)32-24-39-33(23-37(32)43)28-14-5-8-19-38(28)44-39/h1-24H
InChIKeyYLKUSEMOJFEFIM-UHFFFAOYSA-N
XLogP11.78
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.72
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole (CID 118154187) is 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)cc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is YLKUSEMOJFEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2OS/c1-2-11-25(12-3-1)34-21-26(22-35(42-34)31-17-10-16-30-29-15-6-9-20-40(29)45-41(30)31)43-36-18-7-4-13-27(36)32-24-39-33(23-37(32)43)28-14-5-8-19-38(28)44-39/h1-24H.
What are the key properties of 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole?
11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 592.72 g/mol, XLogP of 11.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 118154187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).