14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine

C64H54N2O2 — CID 155420616

About 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine

14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine (PubChem CID 155420616) has the molecular formula C64H54N2O2 and a molecular weight of 883.15 g/mol. Its IUPAC name is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine.

Molecular Properties

• Compound Name: 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
• PubChem CID: 155420616
• Molecular Formula: C64H54N2O2
• Molecular Weight: 883.15 g/mol
• Exact Mass: 882.42
• IUPAC Name: 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2cc3c(c4oc5c(c24)CCC=C5)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3)c3ccc(C)cc3C)c3c2oc2ccccc23)C4(C)C)c(C)c1
• InChI: InChI=1S/C64H54N2O2/c1-37-27-29-51(39(3)31-37)65(41-19-11-9-12-20-41)53-35-49-57(61-59(53)43-23-15-17-25-55(43)67-61)45-33-48-46(34-47(45)63(49,5)6)58-50(64(48,7)8)36-54(60-44-24-16-18-26-56(44)68-62(58)60)66(42-21-13-10-14-22-42)52-30-28-38(2)32-40(52)4/h9-15,17-23,25-36H,16,24H2,1-8H3
• InChIKey: NZMCQHQXPQSETJ-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.15
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine?

The IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine (CID 155420616) is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine.

What is the SMILES notation for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine?

The canonical SMILES for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine is Cc1ccc(N(c2ccccc2)c2cc3c(c4oc5c(c24)CCC=C5)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3)c3ccc(C)cc3C)c3c2oc2ccccc23)C4(C)C)c(C)c1.

What is the InChIKey of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine?

The InChIKey is NZMCQHQXPQSETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2O2/c1-37-27-29-51(39(3)31-37)65(41-19-11-9-12-20-41)53-35-49-57(61-59(53)43-23-15-17-25-55(43)67-61)45-33-48-46(34-47(45)63(49,5)6)58-50(64(48,7)8)36-54(60-44-24-16-18-26-56(44)68-62(58)60)66(42-21-13-10-14-22-42)52-30-28-38(2)32-40(52)4/h9-15,17-23,25-36H,16,24H2,1-8H3.

What are the key properties of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine?

14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine has a molecular weight of 883.15 g/mol, XLogP of 18.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-diphenyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine is sourced from PubChem (CID 155420616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).