2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole

C54H41N5 — CID 138578707

IUPAC2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5ccccn5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C54H41N5/c1-34-25-35(2)28-43(27-34)40-18-21-45-46-22-19-41(44-29-36(3)26-37(4)30-44)33-51(46)59(50(45)32-40)49-23-20-42(48-17-11-12-24-55-48)31-47(49)54-57-52(38-13-7-5-8-14-38)56-53(58-54)39-15-9-6-10-16-39/h5-33H,1-4H3
InChIKeyGVNKJTOOWABMNR-UHFFFAOYSA-N
MW759.96 g/mol
LogP13.60
Rot. Bonds7

About 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole

2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (PubChem CID 138578707) has the molecular formula C54H41N5 and a molecular weight of 759.96 g/mol. Its IUPAC name is 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.

Molecular Properties

Compound Name2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
PubChem CID138578707
Molecular FormulaC54H41N5
Molecular Weight759.96 g/mol
Exact Mass759.34
IUPAC Name2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5ccccn5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C54H41N5/c1-34-25-35(2)28-43(27-34)40-18-21-45-46-22-19-41(44-29-36(3)26-37(4)30-44)33-51(46)59(50(45)32-40)49-23-20-42(48-17-11-12-24-55-48)31-47(49)54-57-52(38-13-7-5-8-14-38)56-53(58-54)39-15-9-6-10-16-39/h5-33H,1-4H3
InChIKeyGVNKJTOOWABMNR-UHFFFAOYSA-N
XLogP13.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.96
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578743
2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579172
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578744
2-(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579190
3-(3,5-dimethylphenyl)-9-[4-[4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139504246
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 137414558
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 137421310
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazol-2-yl]benzonitrile
CID 138578875
3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578581
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
3,6-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579171

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
The IUPAC name of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole (CID 138578707) is 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole.
What is the SMILES notation for 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
The canonical SMILES for 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4ccc(-c5ccccn5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.
What is the InChIKey of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
The InChIKey is GVNKJTOOWABMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N5/c1-34-25-35(2)28-43(27-34)40-18-21-45-46-22-19-41(44-29-36(3)26-37(4)30-44)33-51(46)59(50(45)32-40)49-23-20-42(48-17-11-12-24-55-48)31-47(49)54-57-52(38-13-7-5-8-14-38)56-53(58-54)39-15-9-6-10-16-39/h5-33H,1-4H3.
What are the key properties of 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole?
2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole has a molecular weight of 759.96 g/mol, XLogP of 13.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 138578707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).