3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene

C54H44N4 — CID 145132549

IUPAC3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(C4=NC(c5ccccc5)=NC(c5ccccc5)N4)ccc2n3-c2ccccc2)ccc1C
InChIInChI=1S/C47H36N4.C7H8/c1-31-14-12-13-21-39(31)40-28-35(23-22-32(40)2)36-24-26-43-41(29-36)42-30-37(25-27-44(42)51(43)38-19-10-5-11-20-38)47-49-45(33-15-6-3-7-16-33)48-46(50-47)34-17-8-4-9-18-34;1-7-5-3-2-4-6-7/h3-30,45H,1-2H3,(H,48,49,50);2-6H,1H3
InChIKeyXNWZVEKKCGCEHK-UHFFFAOYSA-N
MW748.97 g/mol
LogP13.22
Rot. Bonds6

About 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene

3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene (PubChem CID 145132549) has the molecular formula C54H44N4 and a molecular weight of 748.97 g/mol. Its IUPAC name is 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene.

Molecular Properties

Compound Name3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene
PubChem CID145132549
Molecular FormulaC54H44N4
Molecular Weight748.97 g/mol
Exact Mass748.36
IUPAC Name3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(C4=NC(c5ccccc5)=NC(c5ccccc5)N4)ccc2n3-c2ccccc2)ccc1C
InChIInChI=1S/C47H36N4.C7H8/c1-31-14-12-13-21-39(31)40-28-35(23-22-32(40)2)36-24-26-43-41(29-36)42-30-37(25-27-44(42)51(43)38-19-10-5-11-20-38)47-49-45(33-15-6-3-7-16-33)48-46(50-47)34-17-8-4-9-18-34;1-7-5-3-2-4-6-7/h3-30,45H,1-2H3,(H,48,49,50);2-6H,1H3
InChIKeyXNWZVEKKCGCEHK-UHFFFAOYSA-N
XLogP13.22
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 513.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137123817
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
4-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-9-phenylcarbazol-2-yl]-N,N-diphenylaniline
CID 137222615
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene?
The IUPAC name of 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene (CID 145132549) is 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene.
What is the SMILES notation for 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene?
The canonical SMILES for 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene is Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccc3c(c2)c2cc(C4=NC(c5ccccc5)=NC(c5ccccc5)N4)ccc2n3-c2ccccc2)ccc1C.
What is the InChIKey of 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene?
The InChIKey is XNWZVEKKCGCEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N4.C7H8/c1-31-14-12-13-21-39(31)40-28-35(23-22-32(40)2)36-24-26-43-41(29-36)42-30-37(25-27-44(42)51(43)38-19-10-5-11-20-38)47-49-45(33-15-6-3-7-16-33)48-46(50-47)34-17-8-4-9-18-34;1-7-5-3-2-4-6-7/h3-30,45H,1-2H3,(H,48,49,50);2-6H,1H3.
What are the key properties of 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene?
3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene has a molecular weight of 748.97 g/mol, XLogP of 13.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-6-[4-methyl-3-(2-methylphenyl)phenyl]-9-phenylcarbazole;toluene is sourced from PubChem (CID 145132549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).