4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile

C40H23N7 — CID 118397715

IUPAC4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccnc(C#N)c6)n5)ccc3n4-c3ccccc3)n2)ccn1
InChIInChI=1S/C40H23N7/c41-24-30-20-28(16-18-43-30)37-10-4-8-35(45-37)26-12-14-39-33(22-26)34-23-27(13-15-40(34)47(39)32-6-2-1-3-7-32)36-9-5-11-38(46-36)29-17-19-44-31(21-29)25-42/h1-23H
InChIKeyYSMSVUDMXKDXFY-UHFFFAOYSA-N
MW601.67 g/mol
LogP8.78
Rot. Bonds5

About 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile

4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile (PubChem CID 118397715) has the molecular formula C40H23N7 and a molecular weight of 601.67 g/mol. Its IUPAC name is 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
PubChem CID118397715
Molecular FormulaC40H23N7
Molecular Weight601.67 g/mol
Exact Mass601.20
IUPAC Name4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccnc(C#N)c6)n5)ccc3n4-c3ccccc3)n2)ccn1
InChIInChI=1S/C40H23N7/c41-24-30-20-28(16-18-43-30)37-10-4-8-35(45-37)26-12-14-39-33(22-26)34-23-27(13-15-40(34)47(39)32-6-2-1-3-7-32)36-9-5-11-38(46-36)29-17-19-44-31(21-29)25-42/h1-23H
InChIKeyYSMSVUDMXKDXFY-UHFFFAOYSA-N
XLogP8.78
TPSA104.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.67
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-4-carbonitrile;4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile;5-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-3-carbonitrile
CID 162039390
3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
CID 163724043
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 155332666
4-[6-[10-[10-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 126542258
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
4-(3-cyano-6-pyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 155332660
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543071
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile (CID 118397715) is 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccnc(C#N)c6)n5)ccc3n4-c3ccccc3)n2)ccn1.
What is the InChIKey of 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is YSMSVUDMXKDXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N7/c41-24-30-20-28(16-18-43-30)37-10-4-8-35(45-37)26-12-14-39-33(22-26)34-23-27(13-15-40(34)47(39)32-6-2-1-3-7-32)36-9-5-11-38(46-36)29-17-19-44-31(21-29)25-42/h1-23H.
What are the key properties of 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile?
4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 601.67 g/mol, XLogP of 8.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118397715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).