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

C51H32N4O — CID 177292506

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

1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177292506) has the molecular formula C51H32N4O and a molecular weight of 731.94 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 177292506
• Molecular Formula: C51H32N4O
• Molecular Weight: 731.94 g/mol
• Exact Mass: 731.35
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(oc3c([2H])c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c4)c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C51H32N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)50-52-49(34-16-5-2-6-17-34)53-51(54-50)43-29-27-36(37-26-28-42-41-22-9-12-25-47(41)56-48(42)32-37)31-46(43)55-44-23-10-7-20-39(44)40-21-8-11-24-45(40)55/h1-32H/i7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,26D,28D,32D
• InChIKey: CMFPKXLKKQUBKZ-ZMNVACKWSA-N
• XLogP: 13.20
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.94
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177292506) is 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(oc3c([2H])c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c4)c([2H])c([2H])c32)c1[2H].

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

The InChIKey is CMFPKXLKKQUBKZ-ZMNVACKWSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-14-33(15-4-1)35-18-13-19-38(30-35)50-52-49(34-16-5-2-6-17-34)53-51(54-50)43-29-27-36(37-26-28-42-41-22-9-12-25-47(41)56-48(42)32-37)31-46(43)55-44-23-10-7-20-39(44)40-21-8-11-24-45(40)55/h1-32H/i7D,8D,9D,10D,11D,12D,20D,21D,22D,23D,24D,25D,26D,28D,32D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 731.94 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177292506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).