14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine

C61H45N5 — CID 170668648

About 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine

14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine (PubChem CID 170668648) has the molecular formula C61H45N5 and a molecular weight of 848.07 g/mol. Its IUPAC name is 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine.

Molecular Properties

• Compound Name: 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
• PubChem CID: 170668648
• Molecular Formula: C61H45N5
• Molecular Weight: 848.07 g/mol
• Exact Mass: 847.37
• IUPAC Name: 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
• SMILES: Cc1cc(N2c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccccc1
• InChI: InChI=1S/C61H45N5/c1-43-36-61(62-41-56(43)45-22-8-3-9-23-45)66-57-31-17-16-30-54(57)52-28-14-15-29-53(52)55-35-34-49(40-60(55)66)65(48-26-12-5-13-27-48)51-38-46(44-20-6-2-7-21-44)37-50(39-51)64-42-63(47-24-10-4-11-25-47)58-32-18-19-33-59(58)64/h2-41H,42H2,1H3
• InChIKey: ZJBUDXVZOBJOSL-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 25.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.07
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine (CID 170668648) is 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine.

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

The canonical SMILES for 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine is Cc1cc(N2c3ccccc3-c3ccccc3-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)cc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccccc1.

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

The InChIKey is ZJBUDXVZOBJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N5/c1-43-36-61(62-41-56(43)45-22-8-3-9-23-45)66-57-31-17-16-30-54(57)52-28-14-15-29-53(52)55-35-34-49(40-60(55)66)65(48-26-12-5-13-27-48)51-38-46(44-20-6-2-7-21-44)37-50(39-51)64-42-63(47-24-10-4-11-25-47)58-32-18-19-33-59(58)64/h2-41H,42H2,1H3.

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

14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine has a molecular weight of 848.07 g/mol, XLogP of 16.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-methyl-5-phenyl-2-pyridinyl)-N-phenyl-N-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine is sourced from PubChem (CID 170668648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).