10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

C74H74N4 — CID 138746117

About 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (PubChem CID 138746117) has the molecular formula C74H74N4 and a molecular weight of 1019.43 g/mol. Its IUPAC name is 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• PubChem CID: 138746117
• Molecular Formula: C74H74N4
• Molecular Weight: 1019.43 g/mol
• Exact Mass: 1018.59
• IUPAC Name: 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• SMILES: Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cccc4n6c23)cc(C)c1C(C)C
• InChI: InChI=1S/C74H74N4/c1-39(2)67-43(9)29-51(30-44(67)10)75(52-31-45(11)68(40(3)4)46(12)32-52)61-25-19-27-63-71(61)57-23-17-21-55-59-38-66-60(37-65(59)77(63)73(55)57)56-22-18-24-58-72-62(26-20-28-64(72)78(66)74(56)58)76(53-33-47(13)69(41(5)6)48(14)34-53)54-35-49(15)70(42(7)8)50(16)36-54/h17-42H,1-16H3
• InChIKey: LJXQKMRYNBEKOJ-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.43
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (CID 138746117) is 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

What is the SMILES notation for 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The canonical SMILES for 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2cccc3c2c2cccc4c5cc6c(cc5n3c42)c2cccc3c4c(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cccc4n6c23)cc(C)c1C(C)C.

What is the InChIKey of 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The InChIKey is LJXQKMRYNBEKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H74N4/c1-39(2)67-43(9)29-51(30-44(67)10)75(52-31-45(11)68(40(3)4)46(12)32-52)61-25-19-27-63-71(61)57-23-17-21-55-59-38-66-60(37-65(59)77(63)73(55)57)56-22-18-24-58-72-62(26-20-28-64(72)78(66)74(56)58)76(53-33-47(13)69(41(5)6)48(14)34-53)54-35-49(15)70(42(7)8)50(16)36-54/h17-42H,1-16H3.

What are the key properties of 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine has a molecular weight of 1019.43 g/mol, XLogP of 21.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,10-N,25-N,25-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-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(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is sourced from PubChem (CID 138746117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).