1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine

C35H20N2OS — CID 121244942

IUPAC1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)nccc5c4c3)cccc12
InChIInChI=1S/C35H20N2OS/c1-4-13-29-23(8-1)24-9-2-5-14-30(24)37(29)35-33-26(18-19-36-35)28-20-21(16-17-31(28)38-33)22-11-7-12-27-25-10-3-6-15-32(25)39-34(22)27/h1-20H
InChIKeyMSUPAQMUGSQVNY-UHFFFAOYSA-N
MW516.63 g/mol
LogP10.11
Rot. Bonds2

About 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine

1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine (PubChem CID 121244942) has the molecular formula C35H20N2OS and a molecular weight of 516.63 g/mol. Its IUPAC name is 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine
PubChem CID121244942
Molecular FormulaC35H20N2OS
Molecular Weight516.63 g/mol
Exact Mass516.13
IUPAC Name1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)nccc5c4c3)cccc12
InChIInChI=1S/C35H20N2OS/c1-4-13-29-23(8-1)24-9-2-5-14-30(24)37(29)35-33-26(18-19-36-35)28-20-21(16-17-31(28)38-33)22-11-7-12-27-25-10-3-6-15-32(25)39-34(22)27/h1-20H
InChIKeyMSUPAQMUGSQVNY-UHFFFAOYSA-N
XLogP10.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine (CID 121244942) is 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine is c1ccc2c(c1)sc1c(-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)nccc5c4c3)cccc12.
What is the InChIKey of 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is MSUPAQMUGSQVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2OS/c1-4-13-29-23(8-1)24-9-2-5-14-30(24)37(29)35-33-26(18-19-36-35)28-20-21(16-17-31(28)38-33)22-11-7-12-27-25-10-3-6-15-32(25)39-34(22)27/h1-20H.
What are the key properties of 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine?
1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 516.63 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-6-dibenzothiophen-4-yl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 121244942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).