2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile

C43H24N6 — CID 149222859

IUPAC2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H24N6/c44-25-33-41(47-35-19-7-1-13-27(35)28-14-2-8-20-36(28)47)34(26-45)43(49-39-23-11-5-17-31(39)32-18-6-12-24-40(32)49)46-42(33)48-37-21-9-3-15-29(37)30-16-4-10-22-38(30)48/h1-24H
InChIKeyXIUBOCBMLCQIKC-UHFFFAOYSA-N
MW624.71 g/mol
LogP10.12
Rot. Bonds3

About 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile

2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile (PubChem CID 149222859) has the molecular formula C43H24N6 and a molecular weight of 624.71 g/mol. Its IUPAC name is 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
PubChem CID149222859
Molecular FormulaC43H24N6
Molecular Weight624.71 g/mol
Exact Mass624.21
IUPAC Name2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H24N6/c44-25-33-41(47-35-19-7-1-13-27(35)28-14-2-8-20-36(28)47)34(26-45)43(49-39-23-11-5-17-31(39)32-18-6-12-24-40(32)49)46-42(33)48-37-21-9-3-15-29(37)30-16-4-10-22-38(30)48/h1-24H
InChIKeyXIUBOCBMLCQIKC-UHFFFAOYSA-N
XLogP10.12
TPSA75.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.71
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile (CID 149222859) is 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is XIUBOCBMLCQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N6/c44-25-33-41(47-35-19-7-1-13-27(35)28-14-2-8-20-36(28)47)34(26-45)43(49-39-23-11-5-17-31(39)32-18-6-12-24-40(32)49)46-42(33)48-37-21-9-3-15-29(37)30-16-4-10-22-38(30)48/h1-24H.
What are the key properties of 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile?
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 624.71 g/mol, XLogP of 10.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 149222859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).