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

C45H31N5 — CID 138578907

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccnc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C45H31N5/c1-30-18-20-31(21-19-30)34-22-24-38-37-16-8-9-17-40(37)50(41(38)27-34)42-28-35(36-15-10-26-46-29-36)23-25-39(42)45-48-43(32-11-4-2-5-12-32)47-44(49-45)33-13-6-3-7-14-33/h2-29H,1H3
InChIKeyBOZDXPPEIXHCMR-UHFFFAOYSA-N
MW641.78 g/mol
LogP11.01
Rot. Bonds6

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole (PubChem CID 138578907) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
PubChem CID138578907
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccnc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C45H31N5/c1-30-18-20-31(21-19-30)34-22-24-38-37-16-8-9-17-40(37)50(41(38)27-34)42-28-35(36-15-10-26-46-29-36)23-25-39(42)45-48-43(32-11-4-2-5-12-32)47-44(49-45)33-13-6-3-7-14-33/h2-29H,1H3
InChIKeyBOZDXPPEIXHCMR-UHFFFAOYSA-N
XLogP11.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579190
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
CID 138578568
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579049
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[5-[3-[3-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[5-[3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 163967215
2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-3-ylphenyl]carbazole
CID 138579045
9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658641
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
3-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole;ethane
CID 142560210
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486639
9-phenyl-3-[7-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]triphenylen-2-yl]carbazole
CID 164843360
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole (CID 138578907) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccnc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole?
The InChIKey is BOZDXPPEIXHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-30-18-20-31(21-19-30)34-22-24-38-37-16-8-9-17-40(37)50(41(38)27-34)42-28-35(36-15-10-26-46-29-36)23-25-39(42)45-48-43(32-11-4-2-5-12-32)47-44(49-45)33-13-6-3-7-14-33/h2-29H,1H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole has a molecular weight of 641.78 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole is sourced from PubChem (CID 138578907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).