17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine

C70H62N6O4 — CID 153294056

About 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine (PubChem CID 153294056) has the molecular formula C70H62N6O4 and a molecular weight of 1051.30 g/mol. Its IUPAC name is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine.

Molecular Properties

• Compound Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine
• PubChem CID: 153294056
• Molecular Formula: C70H62N6O4
• Molecular Weight: 1051.30 g/mol
• Exact Mass: 1050.48
• IUPAC Name: 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2cc3c4c(c2)C(C)(C)c2cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc5c2N4c2c(cc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)cc2C5(C)C)C3(C)C)cc1
• InChI: InChI=1S/C70H62N6O4/c1-68(2)56-37-45(67-72-65(43-17-13-11-14-18-43)71-66(73-67)44-19-15-12-16-20-44)38-57-62(56)76-63-58(68)39-50(74(46-21-29-52(77-7)30-22-46)47-23-31-53(78-8)32-24-47)41-60(63)70(5,6)61-42-51(40-59(64(61)76)69(57,3)4)75(48-25-33-54(79-9)34-26-48)49-27-35-55(80-10)36-28-49/h11-42H,1-10H3
• InChIKey: XAZUOHQKHRYIGW-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 85.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.30
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?

The IUPAC name of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine (CID 153294056) is 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine.

What is the SMILES notation for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?

The canonical SMILES for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine is COc1ccc(N(c2ccc(OC)cc2)c2cc3c4c(c2)C(C)(C)c2cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc5c2N4c2c(cc(-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)cc2C5(C)C)C3(C)C)cc1.

What is the InChIKey of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?

The InChIKey is XAZUOHQKHRYIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62N6O4/c1-68(2)56-37-45(67-72-65(43-17-13-11-14-18-43)71-66(73-67)44-19-15-12-16-20-44)38-57-62(56)76-63-58(68)39-50(74(46-21-29-52(77-7)30-22-46)47-23-31-53(78-8)32-24-47)41-60(63)70(5,6)61-42-51(40-59(64(61)76)69(57,3)4)75(48-25-33-54(79-9)34-26-48)49-27-35-55(80-10)36-28-49/h11-42H,1-10H3.

What are the key properties of 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine?

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine has a molecular weight of 1051.30 g/mol, XLogP of 17.23, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-N,5-N,11-N,11-N-tetrakis(4-methoxyphenyl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11-diamine is sourced from PubChem (CID 153294056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).