5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole

C40H23N3OS — CID 58501593

IUPAC5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3sc4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccc6oc7ccccc7c6c5)cc4c3c2)nc1
InChIInChI=1S/C40H23N3OS/c1-2-7-37-28(5-1)30-22-27(11-13-38(30)44-37)43-35-12-8-24(19-29(35)33-23-41-18-16-36(33)43)25-9-14-39-31(20-25)32-21-26(10-15-40(32)45-39)34-6-3-4-17-42-34/h1-23H
InChIKeyYWYBURREQQPTBV-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.18
Rot. Bonds3

About 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole

5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole (PubChem CID 58501593) has the molecular formula C40H23N3OS and a molecular weight of 593.71 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
PubChem CID58501593
Molecular FormulaC40H23N3OS
Molecular Weight593.71 g/mol
Exact Mass593.16
IUPAC Name5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3sc4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccc6oc7ccccc7c6c5)cc4c3c2)nc1
InChIInChI=1S/C40H23N3OS/c1-2-7-37-28(5-1)30-22-27(11-13-38(30)44-37)43-35-12-8-24(19-29(35)33-23-41-18-16-36(33)43)25-9-14-39-31(20-25)32-21-26(10-15-40(32)45-39)34-6-3-4-17-42-34/h1-23H
InChIKeyYWYBURREQQPTBV-UHFFFAOYSA-N
XLogP11.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole?
The IUPAC name of 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole (CID 58501593) is 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole?
The canonical SMILES for 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole is c1ccc(-c2ccc3sc4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccc6oc7ccccc7c6c5)cc4c3c2)nc1.
What is the InChIKey of 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole?
The InChIKey is YWYBURREQQPTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3OS/c1-2-7-37-28(5-1)30-22-27(11-13-38(30)44-37)43-35-12-8-24(19-29(35)33-23-41-18-16-36(33)43)25-9-14-39-31(20-25)32-21-26(10-15-40(32)45-39)34-6-3-4-17-42-34/h1-23H.
What are the key properties of 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole?
5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole has a molecular weight of 593.71 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 58501593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).