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

C67H64N4O2 — CID 170671734

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole (PubChem CID 170671734) has the molecular formula C67H64N4O2 and a molecular weight of 967.34 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
• PubChem CID: 170671734
• Molecular Formula: C67H64N4O2
• Molecular Weight: 967.34 g/mol
• Exact Mass: 966.57
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(Oc7c(C(C)C)cc(C(C)C)cc7C(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C67H64N4O2/c1-43(2)48-36-57(44(3)4)66(58(37-48)45(5)6)73-53-34-35-68-64(41-53)71-60-33-30-49(67(7,8)9)38-59(60)56-32-31-52(40-63(56)71)72-51-25-18-24-50(39-51)69-42-70(62-29-17-16-28-61(62)69)65-54(46-20-12-10-13-21-46)26-19-27-55(65)47-22-14-11-15-23-47/h10-41,43-45H,42H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D
• InChIKey: MYLURBFFLILQSC-MQKAKTJGSA-N
• XLogP: 19.01
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.34
LogP ≤ 5	19.01
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]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole (CID 170671734) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]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]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole?

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(Oc7c(C(C)C)cc(C(C)C)cc7C(C)C)ccn6)c5c4)c3)c3ccccc32)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]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole?

The InChIKey is MYLURBFFLILQSC-MQKAKTJGSA-N. The full InChI is InChI=1S/C67H64N4O2/c1-43(2)48-36-57(44(3)4)66(58(37-48)45(5)6)73-53-34-35-68-64(41-53)71-60-33-30-49(67(7,8)9)38-59(60)56-32-31-52(40-63(56)71)72-51-25-18-24-50(39-51)69-42-70(62-29-17-16-28-61(62)69)65-54(46-20-12-10-13-21-46)26-19-27-55(65)47-22-14-11-15-23-47/h10-41,43-45H,42H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole has a molecular weight of 967.34 g/mol, XLogP of 19.01, 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]-6-tert-butyl-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole is sourced from PubChem (CID 170671734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).