2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C60H50N4O — CID 170780463

About 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 170780463) has the molecular formula C60H50N4O and a molecular weight of 862.20 g/mol. Its IUPAC name is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 170780463
• Molecular Formula: C60H50N4O
• Molecular Weight: 862.20 g/mol
• Exact Mass: 861.52
• IUPAC Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1nc(-n2c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c7)cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)c4)cc32)c([2H])c(C(C)(C)C)c1[2H]
• InChI: InChI=1S/C60H50N4O/c1-40-32-41(2)34-45(33-40)51-23-15-22-50(43-18-10-7-11-19-43)59(51)63-39-62(55-24-12-13-25-56(55)63)47-20-14-21-48(37-47)65-49-27-28-52-53-35-44(42-16-8-6-9-17-42)26-29-54(53)64(57(52)38-49)58-36-46(30-31-61-58)60(3,4)5/h6-38H,39H2,1-5H3/i1D3,2D3,6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,30D,31D,36D
• InChIKey: ADYAQPHJVFLLMP-UPDPKJIMSA-N
• XLogP: 16.13
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.20
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The IUPAC name of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 170780463) is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

What is the SMILES notation for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The canonical SMILES for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1nc(-n2c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c7)cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)c4)cc32)c([2H])c(C(C)(C)C)c1[2H].

What is the InChIKey of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

The InChIKey is ADYAQPHJVFLLMP-UPDPKJIMSA-N. The full InChI is InChI=1S/C60H50N4O/c1-40-32-41(2)34-45(33-40)51-23-15-22-50(43-18-10-7-11-19-43)59(51)63-39-62(55-24-12-13-25-56(55)63)47-20-14-21-48(37-47)65-49-27-28-52-53-35-44(42-16-8-6-9-17-42)26-29-54(53)64(57(52)38-49)58-36-46(30-31-61-58)60(3,4)5/h6-38H,39H2,1-5H3/i1D3,2D3,6D,7D,8D,9D,10D,11D,16D,17D,18D,19D,30D,31D,36D.

What are the key properties of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole?

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 862.20 g/mol, XLogP of 16.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 170780463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).