5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine

C68H62N2 — CID 58261487

About 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine

5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine (PubChem CID 58261487) has the molecular formula C68H62N2 and a molecular weight of 907.26 g/mol. Its IUPAC name is 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine.

Molecular Properties

• Compound Name: 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine
• PubChem CID: 58261487
• Molecular Formula: C68H62N2
• Molecular Weight: 907.26 g/mol
• Exact Mass: 906.49
• IUPAC Name: 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine
• SMILES: Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)c2c(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc43)C(C)(C)c3cc4c(cc3-2)C(C)(C)c2ccc3ccccc3c2-4)cc1C
• InChI: InChI=1S/C68H62N2/c1-39-17-22-48(31-43(39)5)69(49-23-18-40(2)44(6)32-49)52-26-28-55-56-29-27-53(70(50-24-19-41(3)45(7)33-50)51-25-20-42(4)46(8)34-51)36-58(56)66-65(57(55)35-52)60-38-62-59(37-63(60)68(66,11)12)64-54-16-14-13-15-47(54)21-30-61(64)67(62,9)10/h13-38H,1-12H3
• InChIKey: DZYZLPUARDICNG-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.26
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine?

The IUPAC name of 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine (CID 58261487) is 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine.

What is the SMILES notation for 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine?

The canonical SMILES for 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(c2)c2c(c4cc(N(c5ccc(C)c(C)c5)c5ccc(C)c(C)c5)ccc43)C(C)(C)c3cc4c(cc3-2)C(C)(C)c2ccc3ccccc3c2-4)cc1C.

What is the InChIKey of 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine?

The InChIKey is DZYZLPUARDICNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62N2/c1-39-17-22-48(31-43(39)5)69(49-23-18-40(2)44(6)32-49)52-26-28-55-56-29-27-53(70(50-24-19-41(3)45(7)33-50)51-25-20-42(4)46(8)34-51)36-58(56)66-65(57(55)35-52)60-38-62-59(37-63(60)68(66,11)12)64-54-16-14-13-15-47(54)21-30-61(64)67(62,9)10/h13-38H,1-12H3.

What are the key properties of 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine?

5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine has a molecular weight of 907.26 g/mol, XLogP of 19.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine is sourced from PubChem (CID 58261487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).