9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole

C44H31N5 — CID 164843373

IUPAC9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc(C5=NC(c6cccc(-c7cccnc7)c6)=NC(c6ccccc6)N5)cc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C44H31N5/c1-3-11-31(12-4-1)42-46-43(48-44(47-42)35-14-9-13-33(27-35)36-15-10-26-45-29-36)32-22-20-30(21-23-32)34-24-25-41-39(28-34)38-18-7-8-19-40(38)49(41)37-16-5-2-6-17-37/h1-29,42H,(H,46,47,48)/i2D,5D,6D,16D,17D
InChIKeyGEXZGOLRJUHUSQ-KZKSKIOJSA-N
MW634.80 g/mol
LogP10.01
Rot. Bonds6

About 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole

9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole (PubChem CID 164843373) has the molecular formula C44H31N5 and a molecular weight of 634.80 g/mol. Its IUPAC name is 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
PubChem CID164843373
Molecular FormulaC44H31N5
Molecular Weight634.80 g/mol
Exact Mass634.29
IUPAC Name9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc(C5=NC(c6cccc(-c7cccnc7)c6)=NC(c6ccccc6)N5)cc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/C44H31N5/c1-3-11-31(12-4-1)42-46-43(48-44(47-42)35-14-9-13-33(27-35)36-15-10-26-45-29-36)32-22-20-30(21-23-32)34-24-25-41-39(28-34)38-18-7-8-19-40(38)49(41)37-16-5-2-6-17-37/h1-29,42H,(H,46,47,48)/i2D,5D,6D,16D,17D
InChIKeyGEXZGOLRJUHUSQ-KZKSKIOJSA-N
XLogP10.01
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.80
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole with MolForge

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Related Compounds

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-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
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
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[3-carbazol-9-yl-5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137220453
3-(9H-carbazol-3-yl)-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137198394
9-[3-(6-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-phenylcarbazole
CID 174276551
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
3-carbazol-9-yl-9-(4-phenyl-2-pyridin-3-yl-1,2-dihydro-1,3,5-triazin-6-yl)carbazole
CID 137123822
3-[3-[4-[3-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 159827269
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
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

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
The IUPAC name of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole (CID 164843373) is 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole.
What is the SMILES notation for 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
The canonical SMILES for 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc(C5=NC(c6cccc(-c7cccnc7)c6)=NC(c6ccccc6)N5)cc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
The InChIKey is GEXZGOLRJUHUSQ-KZKSKIOJSA-N. The full InChI is InChI=1S/C44H31N5/c1-3-11-31(12-4-1)42-46-43(48-44(47-42)35-14-9-13-33(27-35)36-15-10-26-45-29-36)32-22-20-30(21-23-32)34-24-25-41-39(28-34)38-18-7-8-19-40(38)49(41)37-16-5-2-6-17-37/h1-29,42H,(H,46,47,48)/i2D,5D,6D,16D,17D.
What are the key properties of 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole?
9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole has a molecular weight of 634.80 g/mol, XLogP of 10.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-[2-phenyl-4-(3-pyridin-3-ylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]carbazole is sourced from PubChem (CID 164843373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).