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

C80H66N4O2 — CID 170671759

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 170671759) has the molecular formula C80H66N4O2 and a molecular weight of 1135.56 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 170671759
• Molecular Formula: C80H66N4O2
• Molecular Weight: 1135.56 g/mol
• Exact Mass: 1134.64
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4cccc(N5CN(c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)c4)cc2n3-c2cc(Oc3c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])ccn2)c([2H])c1[2H]
• InChI: InChI=1S/C80H66N4O2/c1-79(2,3)60-40-37-58(38-41-60)70-49-61(80(4,5)6)48-69(57-29-17-10-18-30-57)78(70)86-65-45-46-81-76(52-65)84-72-44-39-59(54-23-11-7-12-24-54)47-71(72)68-43-42-64(51-75(68)84)85-63-32-21-31-62(50-63)82-53-83(74-36-20-19-35-73(74)82)77-66(55-25-13-8-14-26-55)33-22-34-67(77)56-27-15-9-16-28-56/h7-52H,53H2,1-6H3/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,24D,25D,26D,27D,28D,29D,30D
• InChIKey: WUQAJMQEQSUESV-ULAHYBLLSA-N
• XLogP: 21.94
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.56
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 170671759) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4cccc(N5CN(c6c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)c4)cc2n3-c2cc(Oc3c(-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)cc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])ccn2)c([2H])c1[2H].

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

The InChIKey is WUQAJMQEQSUESV-ULAHYBLLSA-N. The full InChI is InChI=1S/C80H66N4O2/c1-79(2,3)60-40-37-58(38-41-60)70-49-61(80(4,5)6)48-69(57-29-17-10-18-30-57)78(70)86-65-45-46-81-76(52-65)84-72-44-39-59(54-23-11-7-12-24-54)47-71(72)68-43-42-64(51-75(68)84)85-63-32-21-31-62(50-63)82-53-83(74-36-20-19-35-73(74)82)77-66(55-25-13-8-14-26-55)33-22-34-67(77)56-27-15-9-16-28-56/h7-52H,53H2,1-6H3/i7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,23D,24D,25D,26D,27D,28D,29D,30D.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 1135.56 g/mol, XLogP of 21.94, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 170671759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).