6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine

C68H67N3 — CID 167209743

About 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine

6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine (PubChem CID 167209743) has the molecular formula C68H67N3 and a molecular weight of 926.30 g/mol. Its IUPAC name is 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine.

Molecular Properties

• Compound Name: 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine
• PubChem CID: 167209743
• Molecular Formula: C68H67N3
• Molecular Weight: 926.30 g/mol
• Exact Mass: 925.53
• IUPAC Name: 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine
• SMILES: CCCCc1cccc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2c-3c3cc4ccccc4c4c5c(n2c34)C(C)(C)c2cc(N(c3cc(C)cc(C)c3)c3cccc(CCCC)c3)ccc2-5)c1
• InChI: InChI=1S/C68H67N3/c1-11-13-19-46-21-17-24-49(37-46)69(53-33-42(3)31-43(4)34-53)51-27-29-56-59(40-51)67(7,8)65-61(56)58-39-48-23-15-16-26-55(48)62-63-57-30-28-52(41-60(57)68(9,10)66(63)71(65)64(58)62)70(54-35-44(5)32-45(6)36-54)50-25-18-22-47(38-50)20-14-12-2/h15-18,21-41H,11-14,19-20H2,1-10H3
• InChIKey: OFZCLAZIPUVJHR-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.30
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine?

The IUPAC name of 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine (CID 167209743) is 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine.

What is the SMILES notation for 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine?

The canonical SMILES for 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine is CCCCc1cccc(N(c2cc(C)cc(C)c2)c2ccc3c(c2)C(C)(C)c2c-3c3cc4ccccc4c4c5c(n2c34)C(C)(C)c2cc(N(c3cc(C)cc(C)c3)c3cccc(CCCC)c3)ccc2-5)c1.

What is the InChIKey of 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine?

The InChIKey is OFZCLAZIPUVJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H67N3/c1-11-13-19-46-21-17-24-49(37-46)69(53-33-42(3)31-43(4)34-53)51-27-29-56-59(40-51)67(7,8)65-61(56)58-39-48-23-15-16-26-55(48)62-63-57-30-28-52(41-60(57)68(9,10)66(63)71(65)64(58)62)70(54-35-44(5)32-45(6)36-54)50-25-18-22-47(38-50)20-14-12-2/h15-18,21-41H,11-14,19-20H2,1-10H3.

What are the key properties of 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine?

6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine has a molecular weight of 926.30 g/mol, XLogP of 19.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,24-N-bis(3-butylphenyl)-6-N,24-N-bis(3,5-dimethylphenyl)-3,3,27,27-tetramethyl-1-azaoctacyclo[17.9.1.02,10.04,9.011,29.012,17.020,28.021,26]nonacosa-2(10),4(9),5,7,11(29),12,14,16,18,20(28),21(26),22,24-tridecaene-6,24-diamine is sourced from PubChem (CID 167209743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).