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

C39H24N4O — CID 171414836

IUPAC1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2c(-c4ccccc4)cccc23)n1
InChIInChI=1S/C39H24N4O/c1-3-12-25(13-4-1)28-18-11-19-32-31-23-22-27(24-35(31)44-36(28)32)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43/h1-24H/i7D,8D,16D,17D,20D,21D
InChIKeyKQVNLBKHYOKTGU-IOELAPPESA-N
MW570.68 g/mol
LogP9.87
Rot. Bonds4

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

1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 171414836) 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-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID171414836
Molecular FormulaC39H24N4O
Molecular Weight570.68 g/mol
Exact Mass570.23
IUPAC Name1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2c(-c4ccccc4)cccc23)n1
InChIInChI=1S/C39H24N4O/c1-3-12-25(13-4-1)28-18-11-19-32-31-23-22-27(24-35(31)44-36(28)32)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43/h1-24H/i7D,8D,16D,17D,20D,21D
InChIKeyKQVNLBKHYOKTGU-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-[4-(7-dibenzofuran-4-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770005
1,3,4,5,6,8-hexadeuterio-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 165165877
1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098178
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-[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
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
1,3,4,5,6,8-hexadeuterio-9-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 176851638
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-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541
1,3,4,5,6,8-hexadeuterio-9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 169007903
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
1,3,4,5,6,8-hexadeuterio-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 169059479

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole (CID 171414836) is 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])cc([2H])c1n2-c1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2c(-c4ccccc4)cccc23)n1.
What is the InChIKey of 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is KQVNLBKHYOKTGU-IOELAPPESA-N. The full InChI is InChI=1S/C39H24N4O/c1-3-12-25(13-4-1)28-18-11-19-32-31-23-22-27(24-35(31)44-36(28)32)38-40-37(26-14-5-2-6-15-26)41-39(42-38)43-33-20-9-7-16-29(33)30-17-8-10-21-34(30)43/h1-24H/i7D,8D,16D,17D,20D,21D.
What are the key properties of 1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole?
1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-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-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171414836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).