8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C37H28N4 — CID 144995361

About 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 144995361) has the molecular formula C37H28N4 and a molecular weight of 528.66 g/mol. Its IUPAC name is 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• PubChem CID: 144995361
• Molecular Formula: C37H28N4
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.23
• IUPAC Name: 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• SMILES: C/C=C\C(=C/C)c1cc2c3c(cccc3c1)N(c1cc(-c3ccccc3)cc(-c3ccccc3)n1)c1cncnc1-2
• InChI: InChI=1S/C37H28N4/c1-3-12-25(4-2)29-19-28-17-11-18-33-36(28)31(20-29)37-34(23-38-24-39-37)41(33)35-22-30(26-13-7-5-8-14-26)21-32(40-35)27-15-9-6-10-16-27/h3-24H,1-2H3/b12-3-,25-4+
• InChIKey: GWWZUAORWCWLCM-HYXJCTBNSA-N
• XLogP: 9.79
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The IUPAC name of 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 144995361) is 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

What is the SMILES notation for 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The canonical SMILES for 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is C/C=C\C(=C/C)c1cc2c3c(cccc3c1)N(c1cc(-c3ccccc3)cc(-c3ccccc3)n1)c1cncnc1-2.

What is the InChIKey of 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The InChIKey is GWWZUAORWCWLCM-HYXJCTBNSA-N. The full InChI is InChI=1S/C37H28N4/c1-3-12-25(4-2)29-19-28-17-11-18-33-36(28)31(20-29)37-34(23-38-24-39-37)41(33)35-22-30(26-13-7-5-8-14-26)21-32(40-35)27-15-9-6-10-16-27/h3-24H,1-2H3/b12-3-,25-4+.

What are the key properties of 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 528.66 g/mol, XLogP of 9.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4,6-diphenyl-2-pyridinyl)-15-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 144995361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).