8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C132H96N4O4 — CID 158376880

About 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 158376880) has the molecular formula C132H96N4O4 and a molecular weight of 1802.24 g/mol. Its IUPAC name is 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 158376880
• Molecular Formula: C132H96N4O4
• Molecular Weight: 1802.24 g/mol
• Exact Mass: 1800.74
• IUPAC Name: 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: Cc1ccc(-c2ccccc2N(c2ccc3cc4c(cc3c2)oc2ccc3c5cc6ccc(N(c7ccccc7C)c7cc(-c8ccccc8)ccc7C)cc6cc5oc3c24)c2ccccc2C)cc1.Cc1cccc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2cc3c(cc2c1)oc1c3ccc2oc3cc4cc(N(c5ccc(-c6ccccc6)cc5)c5c(C)cccc5C)ccc4cc3c21
• InChI: InChI=1S/2C66H48N2O2/c1-41-13-11-14-42(2)64(41)67(53-27-21-47(22-28-53)45-17-7-5-8-18-45)55-31-25-49-37-58-57-33-34-60-63(66(57)70-61(58)39-51(49)35-55)59-38-50-26-32-56(36-52(50)40-62(59)69-60)68(65-43(3)15-12-16-44(65)4)54-29-23-48(24-30-54)46-19-9-6-10-20-46;1-41-22-25-46(26-23-41)54-18-10-13-21-60(54)67(58-19-11-8-14-42(58)2)52-30-29-48-37-57-64(40-51(48)34-52)69-62-33-32-55-56-36-47-28-31-53(35-50(47)39-63(56)70-66(55)65(57)62)68(59-20-12-9-15-43(59)3)61-38-49(27-24-44(61)4)45-16-6-5-7-17-45/h2*5-40H,1-4H3
• InChIKey: GVHRVLUGOPJSSF-UHFFFAOYSA-N
• XLogP: 38.60
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.24
LogP ≤ 5	38.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 158376880) is 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1ccc(-c2ccccc2N(c2ccc3cc4c(cc3c2)oc2ccc3c5cc6ccc(N(c7ccccc7C)c7cc(-c8ccccc8)ccc7C)cc6cc5oc3c24)c2ccccc2C)cc1.Cc1cccc(C)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2cc3c(cc2c1)oc1c3ccc2oc3cc4cc(N(c5ccc(-c6ccccc6)cc5)c5c(C)cccc5C)ccc4cc3c21.

What is the InChIKey of 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is GVHRVLUGOPJSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H48N2O2/c1-41-13-11-14-42(2)64(41)67(53-27-21-47(22-28-53)45-17-7-5-8-18-45)55-31-25-49-37-58-57-33-34-60-63(66(57)70-61(58)39-51(49)35-55)59-38-50-26-32-56(36-52(50)40-62(59)69-60)68(65-43(3)15-12-16-44(65)4)54-29-23-48(24-30-54)46-19-9-6-10-20-46;1-41-22-25-46(26-23-41)54-18-10-13-21-60(54)67(58-19-11-8-14-42(58)2)52-30-29-48-37-57-64(40-51(48)34-52)69-62-33-32-55-56-36-47-28-31-53(35-50(47)39-63(56)70-66(55)65(57)62)68(59-20-12-9-15-43(59)3)61-38-49(27-24-44(61)4)45-16-6-5-7-17-45/h2*5-40H,1-4H3.

What are the key properties of 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 1802.24 g/mol, XLogP of 38.60, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 158376880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).