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

C49H32N4 — CID 171720916

IUPAC9-[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
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])ccc5c4)n3)c2)c([2H])c1[2H]
InChIInChI=1S/C49H32N4/c1-4-14-33(15-5-1)36-24-25-38-31-40(27-26-37(38)30-36)48-50-47(35-18-8-3-9-19-35)51-49(52-48)43-32-39(34-16-6-2-7-17-34)28-29-46(43)53-44-22-12-10-20-41(44)42-21-11-13-23-45(42)53/h1-32H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyFPTXUNBRZZZXPZ-RIMVHXCBSA-N
MW686.88 g/mol
LogP12.46
Rot. Bonds6

About 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

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 (PubChem CID 171720916) has the molecular formula C49H32N4 and a molecular weight of 686.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID171720916
Molecular FormulaC49H32N4
Molecular Weight686.88 g/mol
Exact Mass686.33
IUPAC Name9-[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
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])ccc5c4)n3)c2)c([2H])c1[2H]
InChIInChI=1S/C49H32N4/c1-4-14-33(15-5-1)36-24-25-38-31-40(27-26-37(38)30-36)48-50-47(35-18-8-3-9-19-35)51-49(52-48)43-32-39(34-16-6-2-7-17-34)28-29-46(43)53-44-22-12-10-20-41(44)42-21-11-13-23-45(42)53/h1-32H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D
InChIKeyFPTXUNBRZZZXPZ-RIMVHXCBSA-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 ≤ 500686.88
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylcarbazole
CID 162710811
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 159708925
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
9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578367
9-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658651
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 157084112
9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 168801624
9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162486334
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])ccc5c4)n3)c2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is FPTXUNBRZZZXPZ-RIMVHXCBSA-N. The full InChI is InChI=1S/C49H32N4/c1-4-14-33(15-5-1)36-24-25-38-31-40(27-26-37(38)30-36)48-50-47(35-18-8-3-9-19-35)51-49(52-48)43-32-39(34-16-6-2-7-17-34)28-29-46(43)53-44-22-12-10-20-41(44)42-21-11-13-23-45(42)53/h1-32H/i1D,2D,4D,5D,6D,7D,14D,15D,16D,17D.
What are the key properties of 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?
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 has a molecular weight of 686.88 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 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 is sourced from PubChem (CID 171720916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).