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

C39H26N4 — CID 168801624

IUPAC9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)n2)c([2H])c1[2H]
InChIInChI=1S/C39H26N4/c1-3-13-28(14-4-1)37-40-38(29-15-5-2-6-16-29)42-39(41-37)30-25-23-27(24-26-30)31-17-7-10-20-34(31)43-35-21-11-8-18-32(35)33-19-9-12-22-36(33)43/h1-26H/i1D,3D,4D,13D,14D
InChIKeyYKHBGTHLJAMEBO-CULCNESPSA-N
MW555.70 g/mol
LogP9.64
Rot. Bonds5

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

9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 168801624) has the molecular formula C39H26N4 and a molecular weight of 555.70 g/mol. Its IUPAC name is 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID168801624
Molecular FormulaC39H26N4
Molecular Weight555.70 g/mol
Exact Mass555.25
IUPAC Name9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)n2)c([2H])c1[2H]
InChIInChI=1S/C39H26N4/c1-3-13-28(14-4-1)37-40-38(29-15-5-2-6-16-29)42-39(41-37)30-25-23-27(24-26-30)31-17-7-10-20-34(31)43-35-21-11-8-18-32(35)33-19-9-12-22-36(33)43/h1-26H/i1D,3D,4D,13D,14D
InChIKeyYKHBGTHLJAMEBO-CULCNESPSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.70
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
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-(4,6-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-(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-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
9-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 168770491
5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 163613158
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
11-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole;11-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 161403390

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 168801624) is 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)n2)c([2H])c1[2H].
What is the InChIKey of 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is YKHBGTHLJAMEBO-CULCNESPSA-N. The full InChI is InChI=1S/C39H26N4/c1-3-13-28(14-4-1)37-40-38(29-15-5-2-6-16-29)42-39(41-37)30-25-23-27(24-26-30)31-17-7-10-20-34(31)43-35-21-11-8-18-32(35)33-19-9-12-22-36(33)43/h1-26H/i1D,3D,4D,13D,14D.
What are the key properties of 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 555.70 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 168801624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).