N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine

C62H50N4 — CID 58233320

About N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine

N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine (PubChem CID 58233320) has the molecular formula C62H50N4 and a molecular weight of 851.11 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine
• PubChem CID: 58233320
• Molecular Formula: C62H50N4
• Molecular Weight: 851.11 g/mol
• Exact Mass: 850.40
• IUPAC Name: N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine
• SMILES: Cc1cccc(N(c2cc(C)ccc2C)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2c(cc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3ccccc23)C4(C)C)c1
• InChI: InChI=1S/C62H50N4/c1-37-19-18-24-42(31-37)66(54-32-38(2)29-30-39(54)3)55-36-53-57(46-28-17-15-26-44(46)55)49-35-50-48(34-51(49)62(53,6)7)56-45-27-16-14-25-43(45)47(33-52(56)61(50,4)5)60-64-58(40-20-10-8-11-21-40)63-59(65-60)41-22-12-9-13-23-41/h8-36H,1-7H3
• InChIKey: XRAXRFVTCJFNKN-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.11
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine?

The IUPAC name of N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine (CID 58233320) is N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine.

What is the SMILES notation for N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine?

The canonical SMILES for N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine is Cc1cccc(N(c2cc(C)ccc2C)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2c(cc(-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3ccccc23)C4(C)C)c1.

What is the InChIKey of N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine?

The InChIKey is XRAXRFVTCJFNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N4/c1-37-19-18-24-42(31-37)66(54-32-38(2)29-30-39(54)3)55-36-53-57(46-28-17-15-26-44(46)55)49-35-50-48(34-51(49)62(53,6)7)56-45-27-16-14-25-43(45)47(33-52(56)61(50,4)5)60-64-58(40-20-10-8-11-21-40)63-59(65-60)41-22-12-9-13-23-41/h8-36H,1-7H3.

What are the key properties of N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine?

N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine has a molecular weight of 851.11 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-25-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,28,28-tetramethyl-N-(3-methylphenyl)heptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-11-amine is sourced from PubChem (CID 58233320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).