5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile

C36H22N4 — CID 132545702

IUPAC5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C36H22N4/c37-21-24-17-26(23-38-22-24)25-18-27(39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)39)20-28(19-25)40-35-15-7-3-11-31(35)32-12-4-8-16-36(32)40/h1-20,22-23H
InChIKeyHHDCGSGNIDMTFZ-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.81
Rot. Bonds3

About 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile

5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 132545702) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
PubChem CID132545702
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C36H22N4/c37-21-24-17-26(23-38-22-24)25-18-27(39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)39)20-28(19-25)40-35-15-7-3-11-31(35)32-12-4-8-16-36(32)40/h1-20,22-23H
InChIKeyHHDCGSGNIDMTFZ-UHFFFAOYSA-N
XLogP8.81
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[2-(5-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542679
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
3-[3-(10-phenylanthracen-9-yl)phenyl]-5-pyrido[4,3-b]indol-5-ylbenzonitrile
CID 167336690
5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543091
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
CID 122622889
3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 139339673
3-(2-methylcarbazol-9-yl)-5-pyridin-4-ylbenzonitrile
CID 138565472
4-[3-(4-cyanophenyl)-5-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 150999428
9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile (CID 132545702) is 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile?
The InChIKey is HHDCGSGNIDMTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c37-21-24-17-26(23-38-22-24)25-18-27(39-33-13-5-1-9-29(33)30-10-2-6-14-34(30)39)20-28(19-25)40-35-15-7-3-11-31(35)32-12-4-8-16-36(32)40/h1-20,22-23H.
What are the key properties of 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile?
5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-di(carbazol-9-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 132545702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).