9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C59H36N4O — CID 176849852

About 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 176849852) has the molecular formula C59H36N4O and a molecular weight of 829.04 g/mol. Its IUPAC name is 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 176849852
• Molecular Formula: C59H36N4O
• Molecular Weight: 829.04 g/mol
• Exact Mass: 828.36
• IUPAC Name: 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc(-c3cccc4cc5ccccc5cc34)cc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C59H36N4O/c1-3-14-37(15-4-1)41-27-30-53-50(34-41)46-21-9-11-24-52(46)63(53)54-31-28-43(45-23-13-20-42-32-39-18-7-8-19-40(39)33-49(42)45)35-51(54)59-61-57(38-16-5-2-6-17-38)60-58(62-59)44-26-29-48-47-22-10-12-25-55(47)64-56(48)36-44/h1-36H/i1D,3D,4D,9D,11D,14D,15D,21D,24D,27D,30D,34D
• InChIKey: LWJCDGBVOHXQCR-QCRLZKLRSA-N
• XLogP: 15.51
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.04
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 176849852) is 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

What is the SMILES notation for 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2ccc(-c3cccc4cc5ccccc5cc34)cc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c([2H])c1[2H].

What is the InChIKey of 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is LWJCDGBVOHXQCR-QCRLZKLRSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-14-37(15-4-1)41-27-30-53-50(34-41)46-21-9-11-24-52(46)63(53)54-31-28-43(45-23-13-20-42-32-39-18-7-8-19-40(39)33-49(42)45)35-51(54)59-61-57(38-16-5-2-6-17-38)60-58(62-59)44-26-29-48-47-22-10-12-25-55(47)64-56(48)36-44/h1-36H/i1D,3D,4D,9D,11D,14D,15D,21D,24D,27D,30D,34D.

What are the key properties of 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 829.04 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-anthracen-1-yl-2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 176849852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).