9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

C45H28N4O — CID 169007904

IUPAC9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2oc3cc(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)ccc3c2c1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)37-27-33(49-39-22-12-10-20-34(39)35-21-11-13-23-40(35)49)28-38-36-25-24-32(26-41(36)50-42(37)38)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D
InChIKeyRSVAIECUXSOKRF-DRJTVLCESA-N
MW662.88 g/mol
LogP11.54
Rot. Bonds5

About 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole

9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (PubChem CID 169007904) has the molecular formula C45H28N4O and a molecular weight of 662.88 g/mol. Its IUPAC name is 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.

Molecular Properties

Compound Name9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
PubChem CID169007904
Molecular FormulaC45H28N4O
Molecular Weight662.88 g/mol
Exact Mass662.36
IUPAC Name9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2oc3cc(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)ccc3c2c1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)37-27-33(49-39-22-12-10-20-34(39)35-21-11-13-23-40(35)49)28-38-36-25-24-32(26-41(36)50-42(37)38)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D
InChIKeyRSVAIECUXSOKRF-DRJTVLCESA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole with MolForge

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Related Compounds

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
1,3,4,5,6,8-hexadeuterio-9-[7-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyldibenzofuran-2-yl]carbazole
CID 169007885
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
1,3,4,5,6,8-hexadeuterio-9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 171414836
9-[3-[4-[2-carbazol-9-yl-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780713
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134
9-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-7-phenyldibenzofuran-2-yl]carbazole
CID 162780361
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-[5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 176851638
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
1,2,3,4,5,6,7,8-octadeuterio-9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 169059329
9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-dibenzofuran-4-ylphenyl]-1,3,4,5,6,8-hexadeuteriocarbazole
CID 172525899

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The IUPAC name of 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole (CID 169007904) is 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole.
What is the SMILES notation for 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The canonical SMILES for 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2oc3cc(-c4nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])nc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])n4)ccc3c2c1.
What is the InChIKey of 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
The InChIKey is RSVAIECUXSOKRF-DRJTVLCESA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)37-27-33(49-39-22-12-10-20-34(39)35-21-11-13-23-40(35)49)28-38-36-25-24-32(26-41(36)50-42(37)38)45-47-43(30-16-6-2-7-17-30)46-44(48-45)31-18-8-3-9-19-31/h1-28H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D.
What are the key properties of 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole?
9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole has a molecular weight of 662.88 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,2,3,4,5,6,8-heptadeuteriocarbazole is sourced from PubChem (CID 169007904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).