1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole

C59H37N5 — CID 171578311

About 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole

1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole (PubChem CID 171578311) has the molecular formula C59H37N5 and a molecular weight of 827.05 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole
• PubChem CID: 171578311
• Molecular Formula: C59H37N5
• Molecular Weight: 827.05 g/mol
• Exact Mass: 826.37
• IUPAC Name: 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole
• SMILES: [2H]c1c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4ccccc4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c(-n2c3ccccc3c3ccccc32)c1[2H]
• InChI: InChI=1S/C59H37N5/c1-9-26-47-39(18-1)40-19-2-10-27-48(40)61(47)55-34-17-35-56(62-49-28-11-3-20-41(49)42-21-4-12-29-50(42)62)59(55)38-36-57(63-51-30-13-5-22-43(51)44-23-6-14-31-52(44)63)60-58(37-38)64-53-32-15-7-24-45(53)46-25-8-16-33-54(46)64/h1-37H/i5D,7D,13D,15D,17D,22D,24D,30D,32D,34D,35D
• InChIKey: WEJBXBZHSMEBNZ-HAVVUXJXSA-N
• XLogP: 15.14
• TPSA: 32.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.05
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole?

The IUPAC name of 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole (CID 171578311) is 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole.

What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole?

The canonical SMILES for 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole is [2H]c1c([2H])c(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4ccccc4c4c([2H])c([2H])c([2H])c([2H])c43)c2)c(-n2c3ccccc3c3ccccc32)c1[2H].

What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole?

The InChIKey is WEJBXBZHSMEBNZ-HAVVUXJXSA-N. The full InChI is InChI=1S/C59H37N5/c1-9-26-47-39(18-1)40-19-2-10-27-48(40)61(47)55-34-17-35-56(62-49-28-11-3-20-41(49)42-21-4-12-29-50(42)62)59(55)38-36-57(63-51-30-13-5-22-43(51)44-23-6-14-31-52(44)63)60-58(37-38)64-53-32-15-7-24-45(53)46-25-8-16-33-54(46)64/h1-37H/i5D,7D,13D,15D,17D,22D,24D,30D,32D,34D,35D.

What are the key properties of 1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole?

1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole has a molecular weight of 827.05 g/mol, XLogP of 15.14, 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-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 171578311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).