18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

C53H35N5O — CID 118507950

About 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (PubChem CID 118507950) has the molecular formula C53H35N5O and a molecular weight of 757.90 g/mol. Its IUPAC name is 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
• PubChem CID: 118507950
• Molecular Formula: C53H35N5O
• Molecular Weight: 757.90 g/mol
• Exact Mass: 757.28
• IUPAC Name: 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
• SMILES: CC1(C)c2ccncc2-c2cc3c4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C53H35N5O/c1-53(2)43-25-26-54-31-42(43)38-29-40-39-27-34(21-23-45(39)58(46(40)30-44(38)53)36-17-10-5-11-18-36)35-22-24-47-41(28-35)49-37(19-12-20-48(49)59-47)52-56-50(32-13-6-3-7-14-32)55-51(57-52)33-15-8-4-9-16-33/h3-31H,1-2H3
• InChIKey: HDOWKFUXRVMNNV-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.90
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

The IUPAC name of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (CID 118507950) is 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.

What is the SMILES notation for 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

The canonical SMILES for 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is CC1(C)c2ccncc2-c2cc3c4cc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

The InChIKey is HDOWKFUXRVMNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5O/c1-53(2)43-25-26-54-31-42(43)38-29-40-39-27-34(21-23-45(39)58(46(40)30-44(38)53)36-17-10-5-11-18-36)35-22-24-47-41(28-35)49-37(19-12-20-48(49)59-47)52-56-50(32-13-6-3-7-14-32)55-51(57-52)33-15-8-4-9-16-33/h3-31H,1-2H3.

What are the key properties of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?

18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene has a molecular weight of 757.90 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10,10-dimethyl-14-phenyl-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is sourced from PubChem (CID 118507950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).