11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C50H47N5O — CID 176782441

About 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 176782441) has the molecular formula C50H47N5O and a molecular weight of 733.96 g/mol. Its IUPAC name is 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

• Compound Name: 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• PubChem CID: 176782441
• Molecular Formula: C50H47N5O
• Molecular Weight: 733.96 g/mol
• Exact Mass: 733.38
• IUPAC Name: 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• SMILES: Cc1cc(C(C)(C)C)cnc1N1CN(c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)c3ccccc3-c3ccccc3-4)c2)c2ccccc21
• InChI: InChI=1S/C50H47N5O/c1-33-27-35(50(5,6)7)31-52-48(33)54-32-53(44-21-12-13-22-45(44)54)36-15-14-16-37(29-36)56-38-23-24-42-40-18-9-8-17-39(40)41-19-10-11-20-43(41)55(46(42)30-38)47-28-34(25-26-51-47)49(2,3)4/h8-31H,32H2,1-7H3
• InChIKey: UVVOMPISLUGSEP-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.96
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The IUPAC name of 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 176782441) is 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

What is the SMILES notation for 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The canonical SMILES for 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is Cc1cc(C(C)(C)C)cnc1N1CN(c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)c3ccccc3-c3ccccc3-4)c2)c2ccccc21.

What is the InChIKey of 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The InChIKey is UVVOMPISLUGSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H47N5O/c1-33-27-35(50(5,6)7)31-52-48(33)54-32-53(44-21-12-13-22-45(44)54)36-15-14-16-37(29-36)56-38-23-24-42-40-18-9-8-17-39(40)41-19-10-11-20-43(41)55(46(42)30-38)47-28-34(25-26-51-47)49(2,3)4/h8-31H,32H2,1-7H3.

What are the key properties of 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 733.96 g/mol, XLogP of 13.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 176782441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).