2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile

C35H26N8 — CID 137420905

IUPAC2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(-c3nc(C)nc(C)n3)c2)n1
InChIInChI=1S/C35H26N8/c1-20-37-21(2)40-34(39-20)25-14-16-32(30(17-25)35-41-22(3)38-23(4)42-35)43-31-12-8-7-11-28(31)29-15-13-24(18-33(29)43)27-10-6-5-9-26(27)19-36/h5-18H,1-4H3
InChIKeyCRYDAEAMTAYHSZ-UHFFFAOYSA-N
MW558.65 g/mol
LogP7.26
Rot. Bonds4

About 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile

2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile (PubChem CID 137420905) has the molecular formula C35H26N8 and a molecular weight of 558.65 g/mol. Its IUPAC name is 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
PubChem CID137420905
Molecular FormulaC35H26N8
Molecular Weight558.65 g/mol
Exact Mass558.23
IUPAC Name2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(-c3nc(C)nc(C)n3)c2)n1
InChIInChI=1S/C35H26N8/c1-20-37-21(2)40-34(39-20)25-14-16-32(30(17-25)35-41-22(3)38-23(4)42-35)43-31-12-8-7-11-28(31)29-15-13-24(18-33(29)43)27-10-6-5-9-26(27)19-36/h5-18H,1-4H3
InChIKeyCRYDAEAMTAYHSZ-UHFFFAOYSA-N
XLogP7.26
TPSA106.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.65
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 147847714
2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232570
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421152
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232743
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512991
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 137414472
2-[9-[4-(2-cyanophenyl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 139496015
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 137421448

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile (CID 137420905) is 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile is Cc1nc(C)nc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c(-c3nc(C)nc(C)n3)c2)n1.
What is the InChIKey of 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?
The InChIKey is CRYDAEAMTAYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N8/c1-20-37-21(2)40-34(39-20)25-14-16-32(30(17-25)35-41-22(3)38-23(4)42-35)43-31-12-8-7-11-28(31)29-15-13-24(18-33(29)43)27-10-6-5-9-26(27)19-36/h5-18H,1-4H3.
What are the key properties of 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?
2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile has a molecular weight of 558.65 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 137420905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).