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

C43H28N4 — CID 157084112

IUPAC9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C43H28N4/c1-3-13-29(14-4-1)30-23-25-32(26-24-30)42-44-41(31-15-5-2-6-16-31)45-43(46-42)37-27-28-40(34-18-8-7-17-33(34)37)47-38-21-11-9-19-35(38)36-20-10-12-22-39(36)47/h1-28H/i2D,5D,6D,15D,16D
InChIKeyJTVJVRIOEHPOAJ-KLZHWEBPSA-N
MW605.76 g/mol
LogP10.79
Rot. Bonds5

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

9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole (PubChem CID 157084112) has the molecular formula C43H28N4 and a molecular weight of 605.76 g/mol. Its IUPAC name is 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
PubChem CID157084112
Molecular FormulaC43H28N4
Molecular Weight605.76 g/mol
Exact Mass605.26
IUPAC Name9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)c([2H])c1[2H]
InChIInChI=1S/C43H28N4/c1-3-13-29(14-4-1)30-23-25-32(26-24-30)42-44-41(31-15-5-2-6-16-31)45-43(46-42)37-27-28-40(34-18-8-7-17-33(34)37)47-38-21-11-9-19-35(38)36-20-10-12-22-39(36)47/h1-28H/i2D,5D,6D,15D,16D
InChIKeyJTVJVRIOEHPOAJ-KLZHWEBPSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.76
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 168801624
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-(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-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
3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 170659119
4-carbazol-9-yl-9-[4-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176640498
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 162424962
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 161062041
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;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
CID 162150262
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole (CID 157084112) is 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole?
The InChIKey is JTVJVRIOEHPOAJ-KLZHWEBPSA-N. The full InChI is InChI=1S/C43H28N4/c1-3-13-29(14-4-1)30-23-25-32(26-24-30)42-44-41(31-15-5-2-6-16-31)45-43(46-42)37-27-28-40(34-18-8-7-17-33(34)37)47-38-21-11-9-19-35(38)36-20-10-12-22-39(36)47/h1-28H/i2D,5D,6D,15D,16D.
What are the key properties of 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole?
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole has a molecular weight of 605.76 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 157084112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).