9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine

C82H74N4 — CID 138746114

About 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine

9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine (PubChem CID 138746114) has the molecular formula C82H74N4 and a molecular weight of 1115.52 g/mol. Its IUPAC name is 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine
• PubChem CID: 138746114
• Molecular Formula: C82H74N4
• Molecular Weight: 1115.52 g/mol
• Exact Mass: 1114.59
• IUPAC Name: 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4n6c32)cc1
• InChI: InChI=1S/C82H74N4/c1-79(2,3)53-29-37-57(38-30-53)83(58-39-31-54(32-40-58)80(4,5)6)61-45-47-69-67(49-61)63-25-19-27-65-73-72(52-23-17-14-18-24-52)78-74(71(51-21-15-13-16-22-51)77(73)85(69)75(63)65)66-28-20-26-64-68-50-62(46-48-70(68)86(78)76(64)66)84(59-41-33-55(34-42-59)81(7,8)9)60-43-35-56(36-44-60)82(10,11)12/h13-50H,1-12H3
• InChIKey: XLEDHNRPZQFLFQ-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.52
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine?

The IUPAC name of 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine (CID 138746114) is 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine.

What is the SMILES notation for 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine?

The canonical SMILES for 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4n6c32)cc1.

What is the InChIKey of 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine?

The InChIKey is XLEDHNRPZQFLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H74N4/c1-79(2,3)53-29-37-57(38-30-53)83(58-39-31-54(32-40-58)80(4,5)6)61-45-47-69-67(49-61)63-25-19-27-65-73-72(52-23-17-14-18-24-52)78-74(71(51-21-15-13-16-22-51)77(73)85(69)75(63)65)66-28-20-26-64-68-50-62(46-48-70(68)86(78)76(64)66)84(59-41-33-55(34-42-59)81(7,8)9)60-43-35-56(36-44-60)82(10,11)12/h13-50H,1-12H3.

What are the key properties of 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine?

9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine has a molecular weight of 1115.52 g/mol, XLogP of 23.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,24-N,24-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-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-9,24-diamine is sourced from PubChem (CID 138746114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).