15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene

C56H35N3 — CID 163795414

About 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene

15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene (PubChem CID 163795414) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene.

Molecular Properties

• Compound Name: 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
• PubChem CID: 163795414
• Molecular Formula: C56H35N3
• Molecular Weight: 749.92 g/mol
• Exact Mass: 749.28
• IUPAC Name: 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c(-c6ccccc6)c6c7ccccc7c7ccccc7c6c(-c6ccccc6)c54)c3)nc3ccccc23)cc1
• InChI: InChI=1S/C56H35N3/c1-4-19-36(20-5-1)49-51-43-29-12-10-27-41(43)42-28-11-13-30-44(42)52(51)50(37-21-6-2-7-22-37)55-53(49)46-32-15-17-34-48(46)59(55)40-26-18-25-39(35-40)56-57-47-33-16-14-31-45(47)54(58-56)38-23-8-3-9-24-38/h1-35H
• InChIKey: NAIMOMBTQLLDQF-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.92
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?

The IUPAC name of 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene (CID 163795414) is 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene.

What is the SMILES notation for 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?

The canonical SMILES for 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c(-c6ccccc6)c6c7ccccc7c7ccccc7c6c(-c6ccccc6)c54)c3)nc3ccccc23)cc1.

What is the InChIKey of 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?

The InChIKey is NAIMOMBTQLLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-4-19-36(20-5-1)49-51-43-29-12-10-27-41(43)42-28-11-13-30-44(42)52(51)50(37-21-6-2-7-22-37)55-53(49)46-32-15-17-34-48(46)59(55)40-26-18-25-39(35-40)56-57-47-33-16-14-31-45(47)54(58-56)38-23-8-3-9-24-38/h1-35H.

What are the key properties of 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene?

15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene has a molecular weight of 749.92 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene is sourced from PubChem (CID 163795414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).