16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene

C79H49N3 — CID 160557372

About 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene

16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene (PubChem CID 160557372) has the molecular formula C79H49N3 and a molecular weight of 1040.28 g/mol. Its IUPAC name is 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene.

Molecular Properties

• Compound Name: 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
• PubChem CID: 160557372
• Molecular Formula: C79H49N3
• Molecular Weight: 1040.28 g/mol
• Exact Mass: 1039.39
• IUPAC Name: 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene
• SMILES: c1ccc(-c2cc3c4c(ccc5c4c4c(cccc4n5-c4cccc(-c5ccccc5)n4)-c4ccccc4-3)c2)cc1.c1ccc(-c2cccc(-n3c4cccc5c4c4c6c(cc(-c7ccccc7)cc6ccc43)-c3ccccc3-5)c2)cc1
• InChI: InChI=1S/C40H25N.C39H24N2/c1-3-11-26(12-4-1)28-15-9-16-31(24-28)41-36-20-10-19-34-32-17-7-8-18-33(32)35-25-30(27-13-5-2-6-14-27)23-29-21-22-37(41)40(38(29)35)39(34)36;1-3-11-25(12-4-1)28-23-27-21-22-35-39-37(27)32(24-28)30-16-8-7-15-29(30)31-17-9-19-34(38(31)39)41(35)36-20-10-18-33(40-36)26-13-5-2-6-14-26/h1-25H;1-24H
• InChIKey: QYVZTTWUDUYKII-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.28
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

The IUPAC name of 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene (CID 160557372) is 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene.

What is the SMILES notation for 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

The canonical SMILES for 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene is c1ccc(-c2cc3c4c(ccc5c4c4c(cccc4n5-c4cccc(-c5ccccc5)n4)-c4ccccc4-3)c2)cc1.c1ccc(-c2cccc(-n3c4cccc5c4c4c6c(cc(-c7ccccc7)cc6ccc43)-c3ccccc3-5)c2)cc1.

What is the InChIKey of 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

The InChIKey is QYVZTTWUDUYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N.C39H24N2/c1-3-11-26(12-4-1)28-15-9-16-31(24-28)41-36-20-10-19-34-32-17-7-8-18-33(32)35-25-30(27-13-5-2-6-14-27)23-29-21-22-37(41)40(38(29)35)39(34)36;1-3-11-25(12-4-1)28-23-27-21-22-35-39-37(27)32(24-28)30-16-8-7-15-29(30)31-17-9-19-34(38(31)39)41(35)36-20-10-18-33(40-36)26-13-5-2-6-14-26/h1-25H;1-24H.

What are the key properties of 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene?

16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene has a molecular weight of 1040.28 g/mol, XLogP of 21.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 16-phenyl-23-(3-phenylphenyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene;16-phenyl-23-(6-phenyl-2-pyridinyl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14(22),15,17,19-undecaene is sourced from PubChem (CID 160557372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).