1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C45H30N4 — CID 177275603

IUPAC1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccc(-c4ccccc4)cc3)cccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C45H30N4/c1-4-13-31(14-5-1)33-23-27-35(28-24-33)38-20-12-22-41-42(38)39-19-10-11-21-40(39)49(41)45-47-43(36-17-8-3-9-18-36)46-44(48-45)37-29-25-34(26-30-37)32-15-6-2-7-16-32/h1-30H/i10D,11D,19D,21D
InChIKeyLOHGGUVAJSXIRQ-DODUVJQISA-N
MW630.79 g/mol
LogP11.30
Rot. Bonds6

About 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177275603) has the molecular formula C45H30N4 and a molecular weight of 630.79 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID177275603
Molecular FormulaC45H30N4
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccc(-c4ccccc4)cc3)cccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C45H30N4/c1-4-13-31(14-5-1)33-23-27-35(28-24-33)38-20-12-22-41-42(38)39-19-10-11-21-40(39)49(41)45-47-43(36-17-8-3-9-18-36)46-44(48-45)37-29-25-34(26-30-37)32-15-6-2-7-16-32/h1-30H/i10D,11D,19D,21D
InChIKeyLOHGGUVAJSXIRQ-DODUVJQISA-N
XLogP11.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275403
1,2,3,4-tetradeuterio-5-(3-phenylphenyl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275473
1,2,3,4-tetradeuterio-8-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275450
1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 169018089
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268201
4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 168769715
1,2,3,4-tetradeuterio-9-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-(4-phenylphenyl)carbazole
CID 177275412
1,2,3,4-tetradeuterio-7-(4-phenylphenyl)-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275449
1,2,3,4-tetradeuterio-9-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113600
1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole
CID 177275454
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268215

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 177275603) is 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(-c3ccc(-c4ccccc4)cc3)cccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is LOHGGUVAJSXIRQ-DODUVJQISA-N. The full InChI is InChI=1S/C45H30N4/c1-4-13-31(14-5-1)33-23-27-35(28-24-33)38-20-12-22-41-42(38)39-19-10-11-21-40(39)49(41)45-47-43(36-17-8-3-9-18-36)46-44(48-45)37-29-25-34(26-30-37)32-15-6-2-7-16-32/h1-30H/i10D,11D,19D,21D.
What are the key properties of 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 630.79 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177275603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).