1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

C49H32N4 — CID 170536653

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H]
InChIInChI=1S/C49H32N4/c1-3-14-33(15-4-1)38-30-39(32-40(31-38)53-45-24-11-9-21-43(45)44-22-10-12-25-46(44)53)49-51-47(36-17-5-2-6-18-36)50-48(52-49)37-28-26-35(27-29-37)42-23-13-19-34-16-7-8-20-41(34)42/h1-32H/i1D,3D,4D,9D,10D,11D,12D,14D,15D,21D,22D,24D,25D
InChIKeyBVZAYGNKNLTAJH-FPQAUAMSSA-N
MW689.90 g/mol
LogP12.46
Rot. Bonds6

About 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 170536653) has the molecular formula C49H32N4 and a molecular weight of 689.90 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
PubChem CID170536653
Molecular FormulaC49H32N4
Molecular Weight689.90 g/mol
Exact Mass689.34
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H]
InChIInChI=1S/C49H32N4/c1-3-14-33(15-4-1)38-30-39(32-40(31-38)53-45-24-11-9-21-43(45)44-22-10-12-25-46(44)53)49-51-47(36-17-5-2-6-18-36)50-48(52-49)37-28-26-35(27-29-37)42-23-13-19-34-16-7-8-20-41(34)42/h1-32H/i1D,3D,4D,9D,10D,11D,12D,14D,15D,21D,22D,24D,25D
InChIKeyBVZAYGNKNLTAJH-FPQAUAMSSA-N
XLogP12.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.90
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170536831
1,2,3,4,5,6,7,8-octadeuterio-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170536789
1,2,3,4,5,6,7,8-octadeuterio-9-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170536800
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170536743
2-(4-naphthalen-1-ylphenyl)-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166022217
1,3,4,5,6,8-hexadeuterio-9-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170536689
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
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole
CID 170658880
2-[3-(4-naphthalen-1-ylphenyl)phenyl]-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169302456
1,3,4,5,6,8-hexadeuterio-9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]carbazole
CID 170536687
1,3,4,5,6,8-hexadeuterio-9-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 170536816
1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177113527

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 170536653) is 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
The InChIKey is BVZAYGNKNLTAJH-FPQAUAMSSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-14-33(15-4-1)38-30-39(32-40(31-38)53-45-24-11-9-21-43(45)44-22-10-12-25-46(44)53)49-51-47(36-17-5-2-6-18-36)50-48(52-49)37-28-26-35(27-29-37)42-23-13-19-34-16-7-8-20-41(34)42/h1-32H/i1D,3D,4D,9D,10D,11D,12D,14D,15D,21D,22D,24D,25D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 689.90 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 170536653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).