5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile

C35H20N6 — CID 140903236

IUPAC5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H20N6/c36-21-25-19-27(41-30-17-9-7-15-28(30)29-16-8-10-18-31(29)41)20-26(22-37)32(25)35-39-33(23-11-3-1-4-12-23)38-34(40-35)24-13-5-2-6-14-24/h1-20H
InChIKeyBNTYBRYSRSYCLH-UHFFFAOYSA-N
MW524.59 g/mol
LogP7.71
Rot. Bonds4

About 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile

5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile (PubChem CID 140903236) has the molecular formula C35H20N6 and a molecular weight of 524.59 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
PubChem CID140903236
Molecular FormulaC35H20N6
Molecular Weight524.59 g/mol
Exact Mass524.17
IUPAC Name5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)cc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H20N6/c36-21-25-19-27(41-30-17-9-7-15-28(30)29-16-8-10-18-31(29)41)20-26(22-37)32(25)35-39-33(23-11-3-1-4-12-23)38-34(40-35)24-13-5-2-6-14-24/h1-20H
InChIKeyBNTYBRYSRSYCLH-UHFFFAOYSA-N
XLogP7.71
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,3-dicarbonitrile
CID 121400436
5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzene-1,3-dicarbonitrile
CID 126730094
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
5-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 147984764
4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 146573167
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 126730097
2-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzene-1,3-dicarbonitrile
CID 126734518
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile (CID 140903236) is 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)cc(C#N)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile?
The InChIKey is BNTYBRYSRSYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6/c36-21-25-19-27(41-30-17-9-7-15-28(30)29-16-8-10-18-31(29)41)20-26(22-37)32(25)35-39-33(23-11-3-1-4-12-23)38-34(40-35)24-13-5-2-6-14-24/h1-20H.
What are the key properties of 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile?
5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile has a molecular weight of 524.59 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 140903236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).