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

C57H38N4 — CID 177275219

IUPAC1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C57H38N4/c1-4-13-39(14-5-1)41-23-25-43(26-24-41)44-27-31-45(32-28-44)50-20-12-21-52-51-19-10-11-22-53(51)61(54(50)52)49-37-35-48(36-38-49)57-59-55(46-17-8-3-9-18-46)58-56(60-57)47-33-29-42(30-34-47)40-15-6-2-7-16-40/h1-38H/i10D,11D,19D,22D
InChIKeyKPMFOCISXIESBB-KQVSROPYSA-N
MW782.98 g/mol
LogP14.64
Rot. Bonds8

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

1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177275219) has the molecular formula C57H38N4 and a molecular weight of 782.98 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID177275219
Molecular FormulaC57H38N4
Molecular Weight782.98 g/mol
Exact Mass782.33
IUPAC Name1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C57H38N4/c1-4-13-39(14-5-1)41-23-25-43(26-24-41)44-27-31-45(32-28-44)50-20-12-21-52-51-19-10-11-22-53(51)61(54(50)52)49-37-35-48(36-38-49)57-59-55(46-17-8-3-9-18-46)58-56(60-57)47-33-29-42(30-34-47)40-15-6-2-7-16-40/h1-38H/i10D,11D,19D,22D
InChIKeyKPMFOCISXIESBB-KQVSROPYSA-N
XLogP14.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.98
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetradeuterio-8-(4-phenylphenyl)-9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275493
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-tetradeuterio-9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275312
1,2,3,4-tetradeuterio-9-[4-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275240
1,2,3,4-tetradeuterio-8-(2-phenylphenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275570
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
1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275252
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-8-(3,5-diphenylphenyl)-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275370
1,2,3,4-tetradeuterio-8-(3,5-diphenylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 177275344
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 172519932

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177275219) is 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is KPMFOCISXIESBB-KQVSROPYSA-N. The full InChI is InChI=1S/C57H38N4/c1-4-13-39(14-5-1)41-23-25-43(26-24-41)44-27-31-45(32-28-44)50-20-12-21-52-51-19-10-11-22-53(51)61(54(50)52)49-37-35-48(36-38-49)57-59-55(46-17-8-3-9-18-46)58-56(60-57)47-33-29-42(30-34-47)40-15-6-2-7-16-40/h1-38H/i10D,11D,19D,22D.
What are the key properties of 1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 782.98 g/mol, XLogP of 14.64, 8 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-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177275219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).