14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine

C66H58N2O2 — CID 155420617

About 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine (PubChem CID 155420617) has the molecular formula C66H58N2O2 and a molecular weight of 911.20 g/mol. Its IUPAC name is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
• PubChem CID: 155420617
• Molecular Formula: C66H58N2O2
• Molecular Weight: 911.20 g/mol
• Exact Mass: 910.45
• IUPAC Name: 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine
• SMILES: Cc1ccc(N(c2ccccc2C)c2cc3c(c4c2oc2ccccc24)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c5c(oc23)C=CCC5)C4(C)C)c(C)c1
• InChI: InChI=1S/C66H58N2O2/c1-37-27-29-53(41(5)31-37)67(51-23-15-11-19-39(51)3)55-35-50-60(64-61(55)43-21-13-17-25-57(43)70-64)46-34-47-45(33-48(46)66(50,9)10)59-49(65(47,7)8)36-56(63-62(59)44-22-14-18-26-58(44)69-63)68(52-24-16-12-20-40(52)4)54-30-28-38(2)32-42(54)6/h11-12,14-20,22-36H,13,21H2,1-10H3
• InChIKey: UDBNUVKTTFNEFQ-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.20
LogP ≤ 5	18.69
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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine (CID 155420617) is 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine is Cc1ccc(N(c2ccccc2C)c2cc3c(c4c2oc2ccccc24)-c2cc4c(cc2C3(C)C)-c2c(cc(N(c3ccccc3C)c3ccc(C)cc3C)c3c5c(oc23)C=CCC5)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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine?

The InChIKey is UDBNUVKTTFNEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58N2O2/c1-37-27-29-53(41(5)31-37)67(51-23-15-11-19-39(51)3)55-35-50-60(64-61(55)43-21-13-17-25-57(43)70-64)46-34-47-45(33-48(46)66(50,9)10)59-49(65(47,7)8)36-56(63-62(59)44-22-14-18-26-58(44)69-63)68(52-24-16-12-20-40(52)4)54-30-28-38(2)32-42(54)6/h11-12,14-20,22-36H,13,21H2,1-10H3.

What are the key properties of 14-N,31-N-bis(2,4-dimethylphenyl)-17,17,34,34-tetramethyl-14-N,31-N-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine has a molecular weight of 911.20 g/mol, XLogP of 18.69, 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-bis(2-methylphenyl)-12,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4,6,8,10,13,15,18,21,24(29),25,30,32-tetradecaene-14,31-diamine is sourced from PubChem (CID 155420617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).