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

C45H31N5 — CID 138578568

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C45H31N5/c1-30-11-10-16-34(27-30)36-19-21-38-37-17-8-9-18-40(37)50(41(38)29-36)42-28-35(31-23-25-46-26-24-31)20-22-39(42)45-48-43(32-12-4-2-5-13-32)47-44(49-45)33-14-6-3-7-15-33/h2-29H,1H3
InChIKeyGTBKUUDKYDFEAC-UHFFFAOYSA-N
MW641.78 g/mol
LogP11.01
Rot. Bonds6

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole (PubChem CID 138578568) 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-4-ylphenyl]-2-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
PubChem CID138578568
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C45H31N5/c1-30-11-10-16-34(27-30)36-19-21-38-37-17-8-9-18-40(37)50(41(38)29-36)42-28-35(31-23-25-46-26-24-31)20-22-39(42)45-48-43(32-12-4-2-5-13-32)47-44(49-45)33-14-6-3-7-15-33/h2-29H,1H3
InChIKeyGTBKUUDKYDFEAC-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

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
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
CID 138578907
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486639
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-4-ylphenyl]-3-(3-methylphenyl)carbazole;1-methyl-2-propan-2-ylbenzene
CID 142597628
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
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-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)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]carbazole
CID 162500772
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
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
CID 167262180
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
CID 138578667

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole (CID 138578568) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole?
The InChIKey is GTBKUUDKYDFEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-30-11-10-16-34(27-30)36-19-21-38-37-17-8-9-18-40(37)50(41(38)29-36)42-28-35(31-23-25-46-26-24-31)20-22-39(42)45-48-43(32-12-4-2-5-13-32)47-44(49-45)33-14-6-3-7-15-33/h2-29H,1H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-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-4-ylphenyl]-2-(3-methylphenyl)carbazole is sourced from PubChem (CID 138578568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).