7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene

C114H65N3 — CID 167306774

About 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene

7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene (PubChem CID 167306774) has the molecular formula C114H65N3 and a molecular weight of 1476.79 g/mol. Its IUPAC name is 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene.

Molecular Properties

• Compound Name: 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
• PubChem CID: 167306774
• Molecular Formula: C114H65N3
• Molecular Weight: 1476.79 g/mol
• Exact Mass: 1475.52
• IUPAC Name: 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
• SMILES: c1ccc(-c2ccc(-c3cc4c5cc6ccccc6cc5n5c6cc7cccc(-c8ccc9cc%10c(cc9c8)c8cc(-c9ccccc9)cc9c%11cc%12cc(-c%13cccc%14cc%15c(cc%13%14)c%13cc(-c%14cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%14)cc%14c%16cc%17ccccc%17cc%16n%15c%14%13)ccc%12cc%11n%10c89)c7cc6c(c3)c45)cc2)cc1
• InChI: InChI=1S/C114H65N3/c1-5-19-66(20-6-1)70-35-37-71(38-36-70)88-54-100-94-48-72-27-13-15-29-74(72)58-106(94)116-110-62-78-31-17-33-90(92(78)64-98(110)104(55-88)113(100)116)80-41-39-76-60-108-96(50-85(76)43-80)101-52-87(69-25-11-4-12-26-69)53-102-97-51-86-44-81(42-40-77(86)61-109(97)115(108)112(101)102)91-34-18-32-79-63-111-99(65-93(79)91)105-57-89(56-103-95-49-73-28-14-16-30-75(73)59-107(95)117(111)114(103)105)84-46-82(67-21-7-2-8-22-67)45-83(47-84)68-23-9-3-10-24-68/h1-65H
• InChIKey: PVCFEAAMNXGWNW-UHFFFAOYSA-N
• XLogP: 31.39
• TPSA: 13.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1476.79
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The IUPAC name of 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene (CID 167306774) is 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene.

What is the SMILES notation for 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The canonical SMILES for 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene is c1ccc(-c2ccc(-c3cc4c5cc6ccccc6cc5n5c6cc7cccc(-c8ccc9cc%10c(cc9c8)c8cc(-c9ccccc9)cc9c%11cc%12cc(-c%13cccc%14cc%15c(cc%13%14)c%13cc(-c%14cc(-c%16ccccc%16)cc(-c%16ccccc%16)c%14)cc%14c%16cc%17ccccc%17cc%16n%15c%14%13)ccc%12cc%11n%10c89)c7cc6c(c3)c45)cc2)cc1.

What is the InChIKey of 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

The InChIKey is PVCFEAAMNXGWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H65N3/c1-5-19-66(20-6-1)70-35-37-71(38-36-70)88-54-100-94-48-72-27-13-15-29-74(72)58-106(94)116-110-62-78-31-17-33-90(92(78)64-98(110)104(55-88)113(100)116)80-41-39-76-60-108-96(50-85(76)43-80)101-52-87(69-25-11-4-12-26-69)53-102-97-51-86-44-81(42-40-77(86)61-109(97)115(108)112(101)102)91-34-18-32-79-63-111-99(65-93(79)91)105-57-89(56-103-95-49-73-28-14-16-30-75(73)59-107(95)117(111)114(103)105)84-46-82(67-21-7-2-8-22-67)45-83(47-84)68-23-9-3-10-24-68/h1-65H.

What are the key properties of 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene?

7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene has a molecular weight of 1476.79 g/mol, XLogP of 31.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[14-(3,5-diphenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-14-phenyl-21-[14-(4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-8-yl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene is sourced from PubChem (CID 167306774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).