24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene

C53H36N4OS — CID 140935996

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene (PubChem CID 140935996) has the molecular formula C53H36N4OS and a molecular weight of 776.97 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene
• PubChem CID: 140935996
• Molecular Formula: C53H36N4OS
• Molecular Weight: 776.97 g/mol
• Exact Mass: 776.26
• IUPAC Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene
• SMILES: COc1ccc2c(c1)c1ccccc1c1cc3c(cc21)sc1cc2c(cc13)C(C)(C)c1cc3ccccc3cc1N2c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C53H36N4OS/c1-53(2)44-24-33-18-10-11-19-34(33)25-46(44)57(52-55-50(31-14-6-4-7-15-31)54-51(56-52)32-16-8-5-9-17-32)47-30-49-43(28-45(47)53)42-27-40-37-21-13-12-20-36(37)39-26-35(58-3)22-23-38(39)41(40)29-48(42)59-49/h4-30H,1-3H3
• InChIKey: QGDDCZFACTXJJL-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 51.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.97
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene?

The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene (CID 140935996) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene.

What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene?

The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene is COc1ccc2c(c1)c1ccccc1c1cc3c(cc21)sc1cc2c(cc13)C(C)(C)c1cc3ccccc3cc1N2c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene?

The InChIKey is QGDDCZFACTXJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4OS/c1-53(2)44-24-33-18-10-11-19-34(33)25-46(44)57(52-55-50(31-14-6-4-7-15-31)54-51(56-52)32-16-8-5-9-17-32)47-30-49-43(28-45(47)53)42-27-40-37-21-13-12-20-36(37)39-26-35(58-3)22-23-38(39)41(40)29-48(42)59-49/h4-30H,1-3H3.

What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene?

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene has a molecular weight of 776.97 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-methoxy-35,35-dimethyl-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11(16),12,14,17,21,23(36),25,27,29,31,33-heptadecaene is sourced from PubChem (CID 140935996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).