23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C74H74N4 — CID 177078630

About 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 177078630) has the molecular formula C74H74N4 and a molecular weight of 1019.43 g/mol. Its IUPAC name is 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 177078630
• Molecular Formula: C74H74N4
• Molecular Weight: 1019.43 g/mol
• Exact Mass: 1018.59
• IUPAC Name: 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cc4n7c32)c(C)cc1C(C)C
• InChI: InChI=1S/C74H74N4/c1-39(2)62-33-44(10)65(34-43(62)9)76(55-31-49(15)72(42(7)8)50(16)32-55)52-24-26-57-59-20-18-22-61-64-37-68-63(38-69(64)78(74(59)61)67(57)36-52)60-21-17-19-58-56-25-23-51(35-66(56)77(68)73(58)60)75(53-27-45(11)70(40(3)4)46(12)28-53)54-29-47(13)71(41(5)6)48(14)30-54/h17-42H,1-16H3
• InChIKey: VYRBMMHZCKWLPA-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 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 177078630) is 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cc4n7c32)c(C)cc1C(C)C.

What is the InChIKey of 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

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

What are the key properties of 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-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 23-N-(2,5-dimethyl-4-propan-2-ylphenyl)-8-N,8-N,23-N-tris(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(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 177078630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).