9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C55H33N5O — CID 135165927

About 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 135165927) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• PubChem CID: 135165927
• Molecular Formula: C55H33N5O
• Molecular Weight: 779.90 g/mol
• Exact Mass: 779.27
• IUPAC Name: 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• SMILES: c1ccc(-c2cccc(-n3c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4c4ccc5ccccc5c43)c2)cc1
• InChI: InChI=1S/C55H33N5O/c1-3-14-34(15-4-1)37-19-13-20-39(32-37)59-46-30-31-47-50(51(46)44-29-26-35-16-7-8-21-40(35)52(44)59)43-23-9-11-24-45(43)60(47)55-57-53(36-17-5-2-6-18-36)56-54(58-55)38-27-28-42-41-22-10-12-25-48(41)61-49(42)33-38/h1-33H
• InChIKey: BVVGEPBUNYMVQL-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.90
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 135165927) is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is c1ccc(-c2cccc(-n3c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4c4ccc5ccccc5c43)c2)cc1.

What is the InChIKey of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The InChIKey is BVVGEPBUNYMVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-3-14-34(15-4-1)37-19-13-20-39(32-37)59-46-30-31-47-50(51(46)44-29-26-35-16-7-8-21-40(35)52(44)59)43-23-9-11-24-45(43)60(47)55-57-53(36-17-5-2-6-18-36)56-54(58-55)38-27-28-42-41-22-10-12-25-48(41)61-49(42)33-38/h1-33H.

What are the key properties of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 779.90 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 135165927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).