5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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

C74H50N4O2 — CID 142296912

About 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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 142296912) has the molecular formula C74H50N4O2 and a molecular weight of 1027.24 g/mol. Its IUPAC name is 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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: 142296912
• Molecular Formula: C74H50N4O2
• Molecular Weight: 1027.24 g/mol
• Exact Mass: 1026.39
• IUPAC Name: 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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: CC.O=c1c2ccccc2c2nccc3c4cc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)ccc4n1c32.O=c1c2cnccc2c2cccc3c4cc(-c5ccccc5)ccc4n1c23
• InChI: InChI=1S/C48H30N2O.C24H14N2O.C2H6/c51-48-43-20-8-7-19-41(43)46-47-42(23-24-49-46)44-30-37(21-22-45(44)50(47)48)40-28-38(35-17-9-15-33(25-35)31-11-3-1-4-12-31)27-39(29-40)36-18-10-16-34(26-36)32-13-5-2-6-14-32;27-24-21-14-25-12-11-17(21)18-7-4-8-19-20-13-16(15-5-2-1-3-6-15)9-10-22(20)26(24)23(18)19;1-2/h1-30H;1-14H;1-2H3
• InChIKey: SDKLGYZNFJCRQT-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 68.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.24
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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 142296912) is 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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 CC.O=c1c2ccccc2c2nccc3c4cc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)ccc4n1c32.O=c1c2cnccc2c2cccc3c4cc(-c5ccccc5)ccc4n1c23.

What is the InChIKey of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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 SDKLGYZNFJCRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C24H14N2O.C2H6/c51-48-43-20-8-7-19-41(43)46-47-42(23-24-49-46)44-30-37(21-22-45(44)50(47)48)40-28-38(35-17-9-15-33(25-35)31-11-3-1-4-12-31)27-39(29-40)36-18-10-16-34(26-36)32-13-5-2-6-14-32;27-24-21-14-25-12-11-17(21)18-7-4-8-19-20-13-16(15-5-2-1-3-6-15)9-10-22(20)26(24)23(18)19;1-2/h1-30H;1-14H;1-2H3.

What are the key properties of 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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 1027.24 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3,5-bis(3-phenylphenyl)phenyl]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one;ethane;5-phenyl-1,16-diazapentacyclo[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 142296912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).