16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]

C58H34N4O2 — CID 142509832

About 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]

16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene] (PubChem CID 142509832) has the molecular formula C58H34N4O2 and a molecular weight of 818.94 g/mol. Its IUPAC name is 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene].

Molecular Properties

• Compound Name: 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]
• PubChem CID: 142509832
• Molecular Formula: C58H34N4O2
• Molecular Weight: 818.94 g/mol
• Exact Mass: 818.27
• IUPAC Name: 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6cccc8c9ccccc9n-7c68)cc5c34)n2)cc1
• InChI: InChI=1S/C58H34N4O2/c1-3-15-35(16-4-1)55-59-56(36-17-5-2-6-18-36)61-57(60-55)41-21-14-28-52-53(41)42-33-37(30-32-49(42)63-52)38-29-31-48-46(34-38)58(43-22-8-11-26-50(43)64-51-27-12-9-23-44(51)58)45-24-13-20-40-39-19-7-10-25-47(39)62(48)54(40)45/h1-34H
• InChIKey: NZAJROXTYPAASA-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.94
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]?

The IUPAC name of 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene] (CID 142509832) is 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene].

What is the SMILES notation for 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]?

The canonical SMILES for 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)C6(c8ccccc8Oc8ccccc86)c6cccc8c9ccccc9n-7c68)cc5c34)n2)cc1.

What is the InChIKey of 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]?

The InChIKey is NZAJROXTYPAASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O2/c1-3-15-35(16-4-1)55-59-56(36-17-5-2-6-18-36)61-57(60-55)41-21-14-28-52-53(41)42-33-37(30-32-49(42)63-52)38-29-31-48-46(34-38)58(43-22-8-11-26-50(43)64-51-27-12-9-23-44(51)58)45-24-13-20-40-39-19-7-10-25-47(39)62(48)54(40)45/h1-34H.

What are the key properties of 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]?

16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene] has a molecular weight of 818.94 g/mol, XLogP of 14.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene] is sourced from PubChem (CID 142509832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).