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

C46H33N5 — CID 139533365

IUPAC9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccncc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H33N5/c1-30-13-21-42-40(27-30)41-28-31(2)14-22-43(41)51(42)37-18-15-33(16-19-37)39-29-36(32-23-25-47-26-24-32)17-20-38(39)46-49-44(34-9-5-3-6-10-34)48-45(50-46)35-11-7-4-8-12-35/h3-29H,1-2H3
InChIKeyKLOCBBFIKFZIEI-UHFFFAOYSA-N
MW655.81 g/mol
LogP11.32
Rot. Bonds6

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

9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 139533365) has the molecular formula C46H33N5 and a molecular weight of 655.81 g/mol. Its IUPAC name is 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
PubChem CID139533365
Molecular FormulaC46H33N5
Molecular Weight655.81 g/mol
Exact Mass655.27
IUPAC Name9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccncc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H33N5/c1-30-13-21-42-40(27-30)41-28-31(2)14-22-43(41)51(42)37-18-15-33(16-19-37)39-29-36(32-23-25-47-26-24-32)17-20-38(39)46-49-44(34-9-5-3-6-10-34)48-45(50-46)35-11-7-4-8-12-35/h3-29H,1-2H3
InChIKeyKLOCBBFIKFZIEI-UHFFFAOYSA-N
XLogP11.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-3,6-diphenylcarbazole
CID 142560205
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
CID 167261851
[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
CID 160852367
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
CID 138578667
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
3,6-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 138579171
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
CID 138578568

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole (CID 139533365) is 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccncc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is KLOCBBFIKFZIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-30-13-21-42-40(27-30)41-28-31(2)14-22-43(41)51(42)37-18-15-33(16-19-37)39-29-36(32-23-25-47-26-24-32)17-20-38(39)46-49-44(34-9-5-3-6-10-34)48-45(50-46)35-11-7-4-8-12-35/h3-29H,1-2H3.
What are the key properties of 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole?
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 655.81 g/mol, XLogP of 11.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 139533365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).