2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile

C48H29N5 — CID 139523509

IUPAC2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
SMILESN#Cc1cc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N5/c49-30-32-27-39(31-25-26-50-48(28-31)53-44-23-11-5-17-37(44)38-18-6-12-24-45(38)53)47(52-42-21-9-3-15-35(42)36-16-4-10-22-43(36)52)29-46(32)51-40-19-7-1-13-33(40)34-14-2-8-20-41(34)51/h1-29H
InChIKeyJOGIIVZZENUECG-UHFFFAOYSA-N
MW675.80 g/mol
LogP11.91
Rot. Bonds4

About 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile

2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile (PubChem CID 139523509) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
PubChem CID139523509
Molecular FormulaC48H29N5
Molecular Weight675.80 g/mol
Exact Mass675.24
IUPAC Name2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
SMILESN#Cc1cc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N5/c49-30-32-27-39(31-25-26-50-48(28-31)53-44-23-11-5-17-37(44)38-18-6-12-24-45(38)53)47(52-42-21-9-3-15-35(42)36-16-4-10-22-43(36)52)29-46(32)51-40-19-7-1-13-33(40)34-14-2-8-20-41(34)51/h1-29H
InChIKeyJOGIIVZZENUECG-UHFFFAOYSA-N
XLogP11.91
TPSA51.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-4-(2-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523867
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
4-(3,5-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 148646626
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
4-(3-isocyanophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 155646815
14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-10,11-dicarbonitrile
CID 121386164
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208

Frequently Asked Questions

What is the IUPAC name of 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
The IUPAC name of 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile (CID 139523509) is 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile is N#Cc1cc(-c2ccnc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
The InChIKey is JOGIIVZZENUECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c49-30-32-27-39(31-25-26-50-48(28-31)53-44-23-11-5-17-37(44)38-18-6-12-24-45(38)53)47(52-42-21-9-3-15-35(42)36-16-4-10-22-43(36)52)29-46(32)51-40-19-7-1-13-33(40)34-14-2-8-20-41(34)51/h1-29H.
What are the key properties of 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile?
2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile has a molecular weight of 675.80 g/mol, XLogP of 11.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(carbazol-9-yl)-5-(2-carbazol-9-yl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 139523509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).