2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene

C110H81ClN8 — CID 158182476

About 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene

2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene (PubChem CID 158182476) has the molecular formula C110H81ClN8 and a molecular weight of 1550.37 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
• PubChem CID: 158182476
• Molecular Formula: C110H81ClN8
• Molecular Weight: 1550.37 g/mol
• Exact Mass: 1548.63
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c5ccccc5c5ccccc5c4cc21)C(C)(C)c1cc2ccccc2cc1N3c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2cc3c(cc2Nc2cc4ccccc4cc21)C(C)(C)c1cc2c4ccccc4c4ccccc4c2cc1-3.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C55H40N4.C40H31N.C15H10ClN3/c1-54(2)45-30-42-40-26-16-14-24-38(40)37-23-13-15-25-39(37)41(42)29-43(45)44-31-48-50(32-46(44)54)59(49-28-36-22-12-11-21-35(36)27-47(49)55(48,3)4)53-57-51(33-17-7-5-8-18-33)56-52(58-53)34-19-9-6-10-20-34;1-39(2)33-20-30-28-16-10-8-14-26(28)25-13-7-9-15-27(25)29(30)19-31(33)32-21-36-38(22-34(32)39)41-37-18-24-12-6-5-11-23(24)17-35(37)40(36,3)4;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h5-32H,1-4H3;5-22,41H,1-4H3;1-10H
• InChIKey: FYTLHQJUIIAQND-UHFFFAOYSA-N
• XLogP: 29.08
• TPSA: 92.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1550.37
LogP ≤ 5	29.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene (CID 158182476) is 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5c5ccccc5c4cc21)C(C)(C)c1cc2ccccc2cc1N3c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2cc3c(cc2Nc2cc4ccccc4cc21)C(C)(C)c1cc2c4ccccc4c4ccccc4c2cc1-3.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

The InChIKey is FYTLHQJUIIAQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4.C40H31N.C15H10ClN3/c1-54(2)45-30-42-40-26-16-14-24-38(40)37-23-13-15-25-39(37)41(42)29-43(45)44-31-48-50(32-46(44)54)59(49-28-36-22-12-11-21-35(36)27-47(49)55(48,3)4)53-57-51(33-17-7-5-8-18-33)56-52(58-53)34-19-9-6-10-20-34;1-39(2)33-20-30-28-16-10-8-14-26(28)25-13-7-9-15-27(25)29(30)19-31(33)32-21-36-38(22-34(32)39)41-37-18-24-12-6-5-11-23(24)17-35(37)40(36,3)4;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h5-32H,1-4H3;5-22,41H,1-4H3;1-10H.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene?

2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene has a molecular weight of 1550.37 g/mol, XLogP of 29.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene is sourced from PubChem (CID 158182476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).