11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

C37H22N4O2 — CID 155790950

About 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (PubChem CID 155790950) has the molecular formula C37H22N4O2 and a molecular weight of 554.61 g/mol. Its IUPAC name is 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

Molecular Properties

• Compound Name: 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
• PubChem CID: 155790950
• Molecular Formula: C37H22N4O2
• Molecular Weight: 554.61 g/mol
• Exact Mass: 554.17
• IUPAC Name: 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5c6ccccc6oc5c5oc6ccccc6c54)n3)c2)cc1
• InChI: InChI=1S/C37H22N4O2/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)36-38-35(24-14-5-2-6-15-24)39-37(40-36)41-31-27-18-7-9-20-29(27)42-33(31)34-32(41)28-19-8-10-21-30(28)43-34/h1-22H
• InChIKey: XHPHVMFLYCBOPK-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.61
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

The IUPAC name of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (CID 155790950) is 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

What is the SMILES notation for 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

The canonical SMILES for 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5c6ccccc6oc5c5oc6ccccc6c54)n3)c2)cc1.

What is the InChIKey of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

The InChIKey is XHPHVMFLYCBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4O2/c1-3-12-23(13-4-1)25-16-11-17-26(22-25)36-38-35(24-14-5-2-6-15-24)39-37(40-36)41-31-27-18-7-9-20-29(27)42-33(31)34-32(41)28-19-8-10-21-30(28)43-34/h1-22H.

What are the key properties of 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene has a molecular weight of 554.61 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is sourced from PubChem (CID 155790950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).