1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole

C39H24N4O — CID 169018089

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2)nc(-c2cccc3oc4cccc(-c5ccccc5)c4c23)n1
InChIInChI=1S/C39H24N4O/c1-3-13-25(14-4-1)27-19-11-23-33-35(27)36-30(20-12-24-34(36)44-33)38-40-37(26-15-5-2-6-16-26)41-39(42-38)43-31-21-9-7-17-28(31)29-18-8-10-22-32(29)43/h1-24H/i7D,8D,9D,10D,17D,18D,21D,22D
InChIKeyDTCJPPJSTBDXKH-VKZRVRSTSA-N
MW572.70 g/mol
LogP9.87
Rot. Bonds4

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 169018089) has the molecular formula C39H24N4O and a molecular weight of 572.70 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID169018089
Molecular FormulaC39H24N4O
Molecular Weight572.70 g/mol
Exact Mass572.25
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2)nc(-c2cccc3oc4cccc(-c5ccccc5)c4c23)n1
InChIInChI=1S/C39H24N4O/c1-3-13-25(14-4-1)27-19-11-23-33-35(27)36-30(20-12-24-34(36)44-33)38-40-37(26-15-5-2-6-16-26)41-39(42-38)43-31-21-9-7-17-28(31)29-18-8-10-22-32(29)43/h1-24H/i7D,8D,9D,10D,17D,18D,21D,22D
InChIKeyDTCJPPJSTBDXKH-VKZRVRSTSA-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 ≤ 500572.70
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-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 169059264
1,2,3,4-tetradeuterio-5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275603
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-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113391
1,2,3,4-tetradeuterio-9-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113600
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267760
1,2,3,4,5,6,7,8,9,10-decadeuterio-11-(2,3,4,5,6-pentadeuteriophenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 172513397
1,2,3,4,6,7,8,9,10,11-decadeuterio-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164932946
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-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541
2-phenyl-4-(9-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741510
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176849595

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole (CID 169018089) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2)nc(-c2cccc3oc4cccc(-c5ccccc5)c4c23)n1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is DTCJPPJSTBDXKH-VKZRVRSTSA-N. The full InChI is InChI=1S/C39H24N4O/c1-3-13-25(14-4-1)27-19-11-23-33-35(27)36-30(20-12-24-34(36)44-33)38-40-37(26-15-5-2-6-16-26)41-39(42-38)43-31-21-9-7-17-28(31)29-18-8-10-22-32(29)43/h1-24H/i7D,8D,9D,10D,17D,18D,21D,22D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 572.70 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 1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 169018089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).