15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C27H18N2O — CID 122469318

About 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122469318) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 122469318
• Molecular Formula: C27H18N2O
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.14
• IUPAC Name: 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: C(=C/c1ccc2c(c1)Oc1cccc3nc(-c4ccccc4)n-2c13)\c1ccccc1
• InChI: InChI=1S/C27H18N2O/c1-3-8-19(9-4-1)14-15-20-16-17-23-25(18-20)30-24-13-7-12-22-26(24)29(23)27(28-22)21-10-5-2-6-11-21/h1-18H/b15-14+
• InChIKey: LTABQXUCZVRFOF-CCEZHUSRSA-N
• XLogP: 6.97
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469318) is 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is C(=C/c1ccc2c(c1)Oc1cccc3nc(-c4ccccc4)n-2c13)\c1ccccc1.

What is the InChIKey of 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is LTABQXUCZVRFOF-CCEZHUSRSA-N. The full InChI is InChI=1S/C27H18N2O/c1-3-8-19(9-4-1)14-15-20-16-17-23-25(18-20)30-24-13-7-12-22-26(24)29(23)27(28-22)21-10-5-2-6-11-21/h1-18H/b15-14+.

What are the key properties of 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 386.45 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).