14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine

C60H44N2O4 — CID 134561114

About 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine

14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine (PubChem CID 134561114) has the molecular formula C60H44N2O4 and a molecular weight of 857.02 g/mol. Its IUPAC name is 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine.

Molecular Properties

• Compound Name: 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
• PubChem CID: 134561114
• Molecular Formula: C60H44N2O4
• Molecular Weight: 857.02 g/mol
• Exact Mass: 856.33
• IUPAC Name: 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2C)c2cc3oc4cc5c(cc4c3c3c2oc2ccccc23)oc2cc(N(c3ccc(C)cc3)c3ccc(C)cc3C)c3oc4ccccc4c3c25)cc1
• InChI: InChI=1S/C60H44N2O4/c1-33-15-21-39(22-16-33)61(45-25-19-35(3)27-37(45)5)47-31-53-55(57-41-11-7-9-13-49(41)65-59(47)57)43-29-52-44(30-51(43)63-53)56-54(64-52)32-48(60-58(56)42-12-8-10-14-50(42)66-60)62(40-23-17-34(2)18-24-40)46-26-20-36(4)28-38(46)6/h7-32H,1-6H3
• InChIKey: BQUFCSFUSGYBPM-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.02
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?

The IUPAC name of 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine (CID 134561114) is 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine.

What is the SMILES notation for 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?

The canonical SMILES for 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine is Cc1ccc(N(c2ccc(C)cc2C)c2cc3oc4cc5c(cc4c3c3c2oc2ccccc23)oc2cc(N(c3ccc(C)cc3)c3ccc(C)cc3C)c3oc4ccccc4c3c25)cc1.

What is the InChIKey of 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?

The InChIKey is BQUFCSFUSGYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O4/c1-33-15-21-39(22-16-33)61(45-25-19-35(3)27-37(45)5)47-31-53-55(57-41-11-7-9-13-49(41)65-59(47)57)43-29-52-44(30-51(43)63-53)56-54(64-52)32-48(60-58(56)42-12-8-10-14-50(42)66-60)62(40-23-17-34(2)18-24-40)46-26-20-36(4)28-38(46)6/h7-32H,1-6H3.

What are the key properties of 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine?

14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine has a molecular weight of 857.02 g/mol, XLogP of 18.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-N,31-N-bis(2,4-dimethylphenyl)-14-N,31-N-bis(4-methylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene-14,31-diamine is sourced from PubChem (CID 134561114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).