6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile

C26H13N5 — CID 146542629

IUPAC6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile
SMILESN#Cc1cc(C#N)nc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
InChIInChI=1S/C26H13N5/c27-14-17-8-9-26-23(11-17)22-6-1-2-7-25(22)31(26)21-5-3-4-19(13-21)24-12-18(15-28)10-20(16-29)30-24/h1-13H
InChIKeyZMEMEWPXOROWSB-UHFFFAOYSA-N
MW395.43 g/mol
LogP5.46
Rot. Bonds2

About 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile

6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile (PubChem CID 146542629) has the molecular formula C26H13N5 and a molecular weight of 395.43 g/mol. Its IUPAC name is 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile.

Molecular Properties

Compound Name6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile
PubChem CID146542629
Molecular FormulaC26H13N5
Molecular Weight395.43 g/mol
Exact Mass395.12
IUPAC Name6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile
SMILESN#Cc1cc(C#N)nc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
InChIInChI=1S/C26H13N5/c27-14-17-8-9-26-23(11-17)22-6-1-2-7-25(22)31(26)21-5-3-4-19(13-21)24-12-18(15-28)10-20(16-29)30-24/h1-13H
InChIKeyZMEMEWPXOROWSB-UHFFFAOYSA-N
XLogP5.46
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
9-(2-carbazol-9-yl-6-cyano-4-pyridinyl)carbazole-3-carbonitrile
CID 170443521
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
9-[9-[4-[4-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734596
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269
9-[3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140775511
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile?
The IUPAC name of 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile (CID 146542629) is 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile.
What is the SMILES notation for 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile?
The canonical SMILES for 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile is N#Cc1cc(C#N)nc(-c2cccc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.
What is the InChIKey of 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile?
The InChIKey is ZMEMEWPXOROWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13N5/c27-14-17-8-9-26-23(11-17)22-6-1-2-7-25(22)31(26)21-5-3-4-19(13-21)24-12-18(15-28)10-20(16-29)30-24/h1-13H.
What are the key properties of 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile?
6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile has a molecular weight of 395.43 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-cyanocarbazol-9-yl)phenyl]pyridine-2,4-dicarbonitrile is sourced from PubChem (CID 146542629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).