1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C51H34N4 — CID 176849795

IUPAC1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)cc1-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])n1
InChIInChI=1S/C51H34N4/c1-4-16-35(17-5-1)38-22-14-24-40(32-38)41-30-31-48(55-46-28-12-10-26-43(46)44-27-11-13-29-47(44)55)45(34-41)51-53-49(37-20-8-3-9-21-37)52-50(54-51)42-25-15-23-39(33-42)36-18-6-2-7-19-36/h1-34H/i1D,3D,4D,5D,8D,9D,10D,11D,12D,16D,17D,20D,21D,26D,27D,28D,29D
InChIKeyLDNNTVRKSNILOI-VHMZNINSSA-N
MW719.96 g/mol
LogP12.97
Rot. Bonds7

About 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 176849795) has the molecular formula C51H34N4 and a molecular weight of 719.96 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID176849795
Molecular FormulaC51H34N4
Molecular Weight719.96 g/mol
Exact Mass719.39
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)cc1-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])n1
InChIInChI=1S/C51H34N4/c1-4-16-35(17-5-1)38-22-14-24-40(32-38)41-30-31-48(55-46-28-12-10-26-43(46)44-27-11-13-29-47(44)55)45(34-41)51-53-49(37-20-8-3-9-21-37)52-50(54-51)42-25-15-23-39(33-42)36-18-6-2-7-19-36/h1-34H/i1D,3D,4D,5D,8D,9D,10D,11D,12D,16D,17D,20D,21D,26D,27D,28D,29D
InChIKeyLDNNTVRKSNILOI-VHMZNINSSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.96
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176849641
1,2,3,4,5,6,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176849570
1,2,3,4-tetradeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113607
1,2,3,4,5,7,8-heptadeuterio-9-[4-(3,5-diphenylphenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176849559
1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176747112
9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 162710773
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130514
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130323
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-2-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177292362
9-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171720916
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113366
9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-dibenzofuran-4-ylphenyl]-1,3,4,5,6,8-hexadeuteriocarbazole
CID 172525899

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 176849795) is 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)cc1-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])n1.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is LDNNTVRKSNILOI-VHMZNINSSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-16-35(17-5-1)38-22-14-24-40(32-38)41-30-31-48(55-46-28-12-10-26-43(46)44-27-11-13-29-47(44)55)45(34-41)51-53-49(37-20-8-3-9-21-37)52-50(54-51)42-25-15-23-39(33-42)36-18-6-2-7-19-36/h1-34H/i1D,3D,4D,5D,8D,9D,10D,11D,12D,16D,17D,20D,21D,26D,27D,28D,29D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 719.96 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 176849795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).