3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C62H50N4 — CID 164841421

About 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 164841421) has the molecular formula C62H50N4 and a molecular weight of 865.20 g/mol. Its IUPAC name is 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• PubChem CID: 164841421
• Molecular Formula: C62H50N4
• Molecular Weight: 865.20 g/mol
• Exact Mass: 864.49
• IUPAC Name: 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3cc(C)ccc3C)c3cc(C)ccc3C)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2cc(C)ccc2C)c2cc(C)ccc2C)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12
• InChI: InChI=1S/C62H50N4/c1-35-17-21-39(5)53(29-35)63(54-30-36(2)18-22-40(54)6)51-27-25-43-47-33-58-48(34-57(47)65-49-15-11-9-13-45(49)59(51)61(43)65)44-26-28-52(60-46-14-10-12-16-50(46)66(58)62(44)60)64(55-31-37(3)19-23-41(55)7)56-32-38(4)20-24-42(56)8/h9-34H,1-8H3/i9D,10D,11D,12D,13D,14D,15D,16D,25D,26D,27D,28D,33D,34D
• InChIKey: GTMPQKVZUOBMCW-LBGRUJQYSA-N
• XLogP: 17.39
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.20
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 164841421) is 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3cc(C)ccc3C)c3cc(C)ccc3C)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2cc(C)ccc2C)c2cc(C)ccc2C)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12.

What is the InChIKey of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The InChIKey is GTMPQKVZUOBMCW-LBGRUJQYSA-N. The full InChI is InChI=1S/C62H50N4/c1-35-17-21-39(5)53(29-35)63(54-30-36(2)18-22-40(54)6)51-27-25-43-47-33-58-48(34-57(47)65-49-15-11-9-13-45(49)59(51)61(43)65)44-26-28-52(60-46-14-10-12-16-50(46)66(58)62(44)60)64(55-31-37(3)19-23-41(55)7)56-32-38(4)20-24-42(56)8/h9-34H,1-8H3/i9D,10D,11D,12D,13D,14D,15D,16D,25D,26D,27D,28D,33D,34D.

What are the key properties of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 865.20 g/mol, XLogP of 17.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 164841421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).