14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C42H28N4O2 — CID 130327434

About 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 130327434) has the molecular formula C42H28N4O2 and a molecular weight of 620.71 g/mol. Its IUPAC name is 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 130327434
• Molecular Formula: C42H28N4O2
• Molecular Weight: 620.71 g/mol
• Exact Mass: 620.22
• IUPAC Name: 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2N(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2cc3oc4ccccc4c3cc21
• InChI: InChI=1S/C42H28N4O2/c1-42(2)30-18-8-9-19-32(30)46(33-24-37-29(23-31(33)42)26-15-6-10-20-34(26)48-37)41-44-39(25-13-4-3-5-14-25)43-40(45-41)28-17-12-22-36-38(28)27-16-7-11-21-35(27)47-36/h3-24H,1-2H3
• InChIKey: MCUBEHYBCMMSRN-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 68.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.71
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 130327434) is 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2N(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2cc3oc4ccccc4c3cc21.

What is the InChIKey of 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is MCUBEHYBCMMSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O2/c1-42(2)30-18-8-9-19-32(30)46(33-24-37-29(23-31(33)42)26-15-6-10-20-34(26)48-37)41-44-39(25-13-4-3-5-14-25)43-40(45-41)28-17-12-22-36-38(28)27-16-7-11-21-35(27)47-36/h3-24H,1-2H3.

What are the key properties of 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 620.71 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 130327434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).