2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile

C44H31N5 — CID 155086412

IUPAC2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile
SMILESCN1CC=C(n2c3c(c4ccccc42)C=CCC3)C=C1c1cc(C#N)cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H31N5/c1-47-22-21-33(48-39-17-6-2-12-35(39)36-13-3-7-18-40(36)48)26-43(47)32-24-29(27-45)23-31(25-32)34-16-10-11-30(28-46)44(34)49-41-19-8-4-14-37(41)38-15-5-9-20-42(38)49/h2-6,8-17,19-21,23-26H,7,18,22H2,1H3
InChIKeyDSRGJSLPWNCIJJ-UHFFFAOYSA-N
MW629.77 g/mol
LogP9.94
Rot. Bonds4

About 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile

2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile (PubChem CID 155086412) has the molecular formula C44H31N5 and a molecular weight of 629.77 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile
PubChem CID155086412
Molecular FormulaC44H31N5
Molecular Weight629.77 g/mol
Exact Mass629.26
IUPAC Name2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile
SMILESCN1CC=C(n2c3c(c4ccccc42)C=CCC3)C=C1c1cc(C#N)cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H31N5/c1-47-22-21-33(48-39-17-6-2-12-35(39)36-13-3-7-18-40(36)48)26-43(47)32-24-29(27-45)23-31(25-32)34-16-10-11-30(28-46)44(34)49-41-19-8-4-14-37(41)38-15-5-9-20-42(38)49/h2-6,8-17,19-21,23-26H,7,18,22H2,1H3
InChIKeyDSRGJSLPWNCIJJ-UHFFFAOYSA-N
XLogP9.94
TPSA60.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.77
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(4a,9a-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]-5-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 167280840
3-[3-cyano-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163634087
2-(5a,6-dihydro-[1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 155299799
5-[2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 163927209
2-carbazol-9-yl-3-[3-cyano-6-[4-(1,2-dihydrocarbazol-9-yl)phenyl]-4-methylcyclohexa-1,5-dien-1-yl]benzonitrile
CID 155085863
9-[5-cyano-2-[3-cyano-5-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 167280770
2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163584925
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 155080619
3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 146325221
3,5-bis(3-tert-butylcarbazol-9-yl)-2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163657279
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-[2-cyano-6-(8-cyanodibenzothiophen-2-yl)phenyl]carbazole-3-carbonitrile
CID 122575971

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile (CID 155086412) is 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile is CN1CC=C(n2c3c(c4ccccc42)C=CCC3)C=C1c1cc(C#N)cc(-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile?
The InChIKey is DSRGJSLPWNCIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N5/c1-47-22-21-33(48-39-17-6-2-12-35(39)36-13-3-7-18-40(36)48)26-43(47)32-24-29(27-45)23-31(25-32)34-16-10-11-30(28-46)44(34)49-41-19-8-4-14-37(41)38-15-5-9-20-42(38)49/h2-6,8-17,19-21,23-26H,7,18,22H2,1H3.
What are the key properties of 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile?
2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile has a molecular weight of 629.77 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[3-cyano-5-[4-(1,2-dihydrocarbazol-9-yl)-1-methyl-2H-pyridin-6-yl]phenyl]benzonitrile is sourced from PubChem (CID 155086412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).