21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C50H30N4O — CID 118635421

About 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 118635421) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 118635421
• Molecular Formula: C50H30N4O
• Molecular Weight: 702.82 g/mol
• Exact Mass: 702.24
• IUPAC Name: 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c6c54)ccc3n2)cc1
• InChI: InChI=1S/C50H30N4O/c1-4-16-31(17-5-1)46-38-30-34(28-29-39(38)51-50(52-46)32-18-6-2-7-19-32)54-40-25-13-10-22-35(40)43-44-37-24-12-15-27-42(37)55-49(44)45-36-23-11-14-26-41(36)53(48(45)47(43)54)33-20-8-3-9-21-33/h1-30H
• InChIKey: YXIJSOPUENAASJ-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.82
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 118635421) is 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5c6c7ccccc7oc6c6c7ccccc7n(-c7ccccc7)c6c54)ccc3n2)cc1.

What is the InChIKey of 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The InChIKey is YXIJSOPUENAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-4-16-31(17-5-1)46-38-30-34(28-29-39(38)51-50(52-46)32-18-6-2-7-19-32)54-40-25-13-10-22-35(40)43-44-37-24-12-15-27-42(37)55-49(44)45-36-23-11-14-26-41(36)53(48(45)47(43)54)33-20-8-3-9-21-33/h1-30H.

What are the key properties of 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 702.82 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(2,4-diphenylquinazolin-6-yl)-18-phenyl-9-oxa-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 118635421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).