1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole

C39H24N4O — CID 169059479

IUPAC1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc3c2c1
InChIInChI=1S/C39H24N4O/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)31-19-11-18-30-32-24-27(22-23-35(32)44-36(30)31)43-33-20-9-7-16-28(33)29-17-8-10-21-34(29)43/h1-24H/i7D,8D,16D,17D,20D,21D
InChIKeyKOOCVSPSUVFZFW-IOELAPPESA-N
MW570.68 g/mol
LogP9.87
Rot. Bonds4

About 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole

1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole (PubChem CID 169059479) has the molecular formula C39H24N4O and a molecular weight of 570.68 g/mol. Its IUPAC name is 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
PubChem CID169059479
Molecular FormulaC39H24N4O
Molecular Weight570.68 g/mol
Exact Mass570.23
IUPAC Name1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc3c2c1
InChIInChI=1S/C39H24N4O/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)31-19-11-18-30-32-24-27(22-23-35(32)44-36(30)31)43-33-20-9-7-16-28(33)29-17-8-10-21-34(29)43/h1-24H/i7D,8D,16D,17D,20D,21D
InChIKeyKOOCVSPSUVFZFW-IOELAPPESA-N
XLogP9.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.68
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 169059329
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
CID 177275529
1,2,4,5,6,8-hexadeuterio-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 165166133
1,3,4,5,6,8-hexadeuterio-9-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylphenyl]carbazole
CID 170536757
1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 171414836
1,3,5,6,8,10-hexadeuterio-12-[6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 168770102
1,2,3,4,5,6,7,8-octadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 169059487
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113463
1,3,4,5,6,8-hexadeuterio-9-[7-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyldibenzofuran-2-yl]carbazole
CID 169007885
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-1,3,4,5,6,8-hexadeuteriocarbazole
CID 169007877

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole (CID 169059479) is 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1ccc2oc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc3c2c1.
What is the InChIKey of 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is KOOCVSPSUVFZFW-IOELAPPESA-N. The full InChI is InChI=1S/C39H24N4O/c1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)31-19-11-18-30-32-24-27(22-23-35(32)44-36(30)31)43-33-20-9-7-16-28(33)29-17-8-10-21-34(29)43/h1-24H/i7D,8D,16D,17D,20D,21D.
What are the key properties of 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole?
1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 570.68 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 169059479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).