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

C55H34N4O — CID 177130575

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

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177130575) has the molecular formula C55H34N4O and a molecular weight of 773.95 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177130575
• Molecular Formula: C55H34N4O
• Molecular Weight: 773.95 g/mol
• Exact Mass: 773.32
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)nc(-c2ccc(-c3ccccc3)c3ccccc23)n1
• InChI: InChI=1S/C55H34N4O/c1-2-16-35(17-3-1)38-32-33-46(41-21-5-4-20-40(38)41)54-56-53(37-19-14-18-36(34-37)39-26-15-27-45-44-24-9-13-31-51(44)60-52(39)45)57-55(58-54)47-25-8-12-30-50(47)59-48-28-10-6-22-42(48)43-23-7-11-29-49(43)59/h1-34H/i6D,7D,10D,22D,23D,28D,29D
• InChIKey: CUPAUUUDZXGEIZ-CJNWBQIBSA-N
• XLogP: 14.36
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.95
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177130575) is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)nc(-c2ccc(-c3ccccc3)c3ccccc23)n1.

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

The InChIKey is CUPAUUUDZXGEIZ-CJNWBQIBSA-N. The full InChI is InChI=1S/C55H34N4O/c1-2-16-35(17-3-1)38-32-33-46(41-21-5-4-20-40(38)41)54-56-53(37-19-14-18-36(34-37)39-26-15-27-45-44-24-9-13-31-51(44)60-52(39)45)57-55(58-54)47-25-8-12-30-50(47)59-48-28-10-6-22-42(48)43-23-7-11-29-49(43)59/h1-34H/i6D,7D,10D,22D,23D,28D,29D.

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

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 773.95 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177130575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).