17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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]

C58H36N4O — CID 142509834

About 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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]

17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 142509834) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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: 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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: 142509834
• Molecular Formula: C58H36N4O
• Molecular Weight: 804.95 g/mol
• Exact Mass: 804.29
• IUPAC Name: 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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(-c3ccccc3-c3cccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)C54c5ccccc5Oc5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C58H36N4O/c1-3-17-37(18-4-1)55-59-56(38-19-5-2-6-20-38)61-57(60-55)45-25-8-7-23-42(45)41-22-15-21-39(35-41)40-33-34-46-51(36-40)62-50-30-12-9-24-43(50)44-26-16-29-49(54(44)62)58(46)47-27-10-13-31-52(47)63-53-32-14-11-28-48(53)58/h1-36H
• InChIKey: HJVPEKYGOVSYCR-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.95
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 142509834) is 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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(-c3ccccc3-c3cccc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)C54c5ccccc5Oc5ccccc54)c3)n2)cc1.

What is the InChIKey of 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 HJVPEKYGOVSYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-3-17-37(18-4-1)55-59-56(38-19-5-2-6-20-38)61-57(60-55)45-25-8-7-23-42(45)41-22-15-21-39(35-41)40-33-34-46-51(36-40)62-50-30-12-9-24-43(50)44-26-16-29-49(54(44)62)58(46)47-27-10-13-31-52(47)63-53-32-14-11-28-48(53)58/h1-36H.

What are the key properties of 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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]?

17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 804.95 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]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 142509834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).