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

C49H30N4O — CID 177130464

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

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177130464) has the molecular formula C49H30N4O and a molecular weight of 704.89 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177130464
• Molecular Formula: C49H30N4O
• Molecular Weight: 704.89 g/mol
• Exact Mass: 704.33
• IUPAC Name: 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-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(-c3c([2H])c([2H])c([2H])c4c3oc3c([2H])c([2H])c([2H])c([2H])c34)c2)nc(-c2cccc3ccccc23)n1
• InChI: InChI=1S/C49H30N4O/c1-2-18-34-31(14-1)15-12-25-40(34)48-50-47(33-17-11-16-32(30-33)35-23-13-24-39-38-21-6-10-29-45(38)54-46(35)39)51-49(52-48)41-22-5-9-28-44(41)53-42-26-7-3-19-36(42)37-20-4-8-27-43(37)53/h1-30H/i3D,4D,6D,7D,10D,13D,19D,20D,21D,23D,24D,26D,27D,29D
• InChIKey: UVOLBQLJCAQVJV-GWTAHUSBSA-N
• XLogP: 12.69
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.89
LogP ≤ 5	12.69
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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177130464) is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-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(-c3c([2H])c([2H])c([2H])c4c3oc3c([2H])c([2H])c([2H])c([2H])c34)c2)nc(-c2cccc3ccccc23)n1.

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

The InChIKey is UVOLBQLJCAQVJV-GWTAHUSBSA-N. The full InChI is InChI=1S/C49H30N4O/c1-2-18-34-31(14-1)15-12-25-40(34)48-50-47(33-17-11-16-32(30-33)35-23-13-24-39-38-21-6-10-29-45(38)54-46(35)39)51-49(52-48)41-22-5-9-28-44(41)53-42-26-7-3-19-36(42)37-20-4-8-27-43(37)53/h1-30H/i3D,4D,6D,7D,10D,13D,19D,20D,21D,23D,24D,26D,27D,29D.

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

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 704.89 g/mol, XLogP of 12.69, 5 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-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177130464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).