11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide

C58H35N3O3S — CID 134571604

About 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide

11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide (PubChem CID 134571604) has the molecular formula C58H35N3O3S and a molecular weight of 854.00 g/mol. Its IUPAC name is 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide.

Molecular Properties

• Compound Name: 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide
• PubChem CID: 134571604
• Molecular Formula: C58H35N3O3S
• Molecular Weight: 854.00 g/mol
• Exact Mass: 853.24
• IUPAC Name: 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide
• SMILES: O=S1(=O)c2ccccc2C2(c3ccccc3-c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc32)c2cc3oc4ccccc4c3cc21
• InChI: InChI=1S/C58H35N3O3S/c62-65(63)53-26-14-12-24-48(53)58(50-35-52-46(34-54(50)65)45-22-10-13-25-51(45)64-52)47-23-11-9-21-43(47)41-19-7-8-20-42(41)44-32-31-40(33-49(44)58)57-60-55(38-17-5-2-6-18-38)59-56(61-57)39-29-27-37(28-30-39)36-15-3-1-4-16-36/h1-35H
• InChIKey: FYVNCSNYMHPOGP-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 85.95 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.00
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide?

The IUPAC name of 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide (CID 134571604) is 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide.

What is the SMILES notation for 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide?

The canonical SMILES for 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide is O=S1(=O)c2ccccc2C2(c3ccccc3-c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc32)c2cc3oc4ccccc4c3cc21.

What is the InChIKey of 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide?

The InChIKey is FYVNCSNYMHPOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O3S/c62-65(63)53-26-14-12-24-48(53)58(50-35-52-46(34-54(50)65)45-22-10-13-25-51(45)64-52)47-23-11-9-21-43(47)41-19-7-8-20-42(41)44-32-31-40(33-49(44)58)57-60-55(38-17-5-2-6-18-38)59-56(61-57)39-29-27-37(28-30-39)36-15-3-1-4-16-36/h1-35H.

What are the key properties of 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide?

11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide has a molecular weight of 854.00 g/mol, XLogP of 13.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[10-oxa-21λ6-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 21,21-dioxide is sourced from PubChem (CID 134571604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).