1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

C45H27N5O — CID 177268193

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

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177268193) has the molecular formula C45H27N5O and a molecular weight of 669.84 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177268193
• Molecular Formula: C45H27N5O
• Molecular Weight: 669.84 g/mol
• Exact Mass: 669.32
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2cccc3c2oc2ccc(-c4ccccc4)cc23)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C45H27N5O/c1-2-13-28(14-3-1)29-25-26-41-36(27-29)34-19-12-20-35(42(34)51-41)43-46-44(49-37-21-8-4-15-30(37)31-16-5-9-22-38(31)49)48-45(47-43)50-39-23-10-6-17-32(39)33-18-7-11-24-40(33)50/h1-27H/i4D,5D,6D,7D,8D,9D,10D,11D,15D,16D,17D,18D,21D,22D,23D,24D
• InChIKey: JBQLDEYPYHXJDO-URISEURMSA-N
• XLogP: 11.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.84
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (CID 177268193) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2cccc3c2oc2ccc(-c4ccccc4)cc23)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

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

The InChIKey is JBQLDEYPYHXJDO-URISEURMSA-N. The full InChI is InChI=1S/C45H27N5O/c1-2-13-28(14-3-1)29-25-26-41-36(27-29)34-19-12-20-35(42(34)51-41)43-46-44(49-37-21-8-4-15-30(37)31-16-5-9-22-38(31)49)48-45(47-43)50-39-23-10-6-17-32(39)33-18-7-11-24-40(33)50/h1-27H/i4D,5D,6D,7D,8D,9D,10D,11D,15D,16D,17D,18D,21D,22D,23D,24D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 669.84 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177268193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).