5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one

C142H86N6O4 — CID 157298032

About 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one

5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one (PubChem CID 157298032) has the molecular formula C142H86N6O4 and a molecular weight of 1940.29 g/mol. Its IUPAC name is 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one.

Molecular Properties

• Compound Name: 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
• PubChem CID: 157298032
• Molecular Formula: C142H86N6O4
• Molecular Weight: 1940.29 g/mol
• Exact Mass: 1938.67
• IUPAC Name: 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
• SMILES: O=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n1c23.O=c1c2ccccc2c2cc(-c3cccc(-c4ccccc4)c3)cc3c4cc(-c5cccc(-c6ccccc6)c5)ccc4n1c23.O=c1c2ccccc2n2c3ccccc3c3c(-c4ccccc4)c(-c4ccccc4)c4c5ccccc5n1c4c32.O=c1c2ccccc2n2c3ccccc3c3ccc4c5ccccc5n1c4c32
• InChI: InChI=1S/C43H27NO.C37H22N2O.C37H23NO.C25H14N2O/c45-43-37-20-8-7-19-36(37)39-26-35(33-18-10-16-31(24-33)29-13-5-2-6-14-29)27-40-38-25-34(21-22-41(38)44(43)42(39)40)32-17-9-15-30(23-32)28-11-3-1-4-12-28;40-37-27-19-9-12-22-30(27)38-28-20-10-7-17-25(28)33-31(23-13-3-1-4-14-23)32(24-15-5-2-6-16-24)34-26-18-8-11-21-29(26)39(37)36(34)35(33)38;39-37-30-18-16-27(24-10-4-1-5-11-24)20-31(30)33-22-29(26-14-8-3-9-15-26)23-34-32-21-28(25-12-6-2-7-13-25)17-19-35(32)38(37)36(33)34;28-25-19-9-3-6-12-22(19)26-20-10-4-1-7-15(20)17-13-14-18-16-8-2-5-11-21(16)27(25)24(18)23(17)26/h1-27H;1-22H;1-23H;1-14H
• InChIKey: BBOMNZODOZCMCQ-UHFFFAOYSA-N
• XLogP: 34.60
• TPSA: 94.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1940.29
LogP ≤ 5	34.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?

The IUPAC name of 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one (CID 157298032) is 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one.

What is the SMILES notation for 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?

The canonical SMILES for 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one is O=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)cc3c4cc(-c5ccccc5)ccc4n1c23.O=c1c2ccccc2c2cc(-c3cccc(-c4ccccc4)c3)cc3c4cc(-c5cccc(-c6ccccc6)c5)ccc4n1c23.O=c1c2ccccc2n2c3ccccc3c3c(-c4ccccc4)c(-c4ccccc4)c4c5ccccc5n1c4c32.O=c1c2ccccc2n2c3ccccc3c3ccc4c5ccccc5n1c4c32.

What is the InChIKey of 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?

The InChIKey is BBOMNZODOZCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO.C37H22N2O.C37H23NO.C25H14N2O/c45-43-37-20-8-7-19-36(37)39-26-35(33-18-10-16-31(24-33)29-13-5-2-6-14-29)27-40-38-25-34(21-22-41(38)44(43)42(39)40)32-17-9-15-30(23-32)28-11-3-1-4-12-28;40-37-27-19-9-12-22-30(27)38-28-20-10-7-17-25(28)33-31(23-13-3-1-4-14-23)32(24-15-5-2-6-16-24)34-26-18-8-11-21-29(26)39(37)36(34)35(33)38;39-37-30-18-16-27(24-10-4-1-5-11-24)20-31(30)33-22-29(26-14-8-3-9-15-26)23-34-32-21-28(25-12-6-2-7-13-25)17-19-35(32)38(37)36(33)34;28-25-19-9-3-6-12-22(19)26-20-10-4-1-7-15(20)17-13-14-18-16-8-2-5-11-21(16)27(25)24(18)23(17)26/h1-27H;1-22H;1-23H;1-14H.

What are the key properties of 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one?

5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one has a molecular weight of 1940.29 g/mol, XLogP of 34.60, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one is sourced from PubChem (CID 157298032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).