6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

C60H52N2O2 — CID 155360920

About 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (PubChem CID 155360920) has the molecular formula C60H52N2O2 and a molecular weight of 833.09 g/mol. Its IUPAC name is 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.

Molecular Properties

• Compound Name: 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
• PubChem CID: 155360920
• Molecular Formula: C60H52N2O2
• Molecular Weight: 833.09 g/mol
• Exact Mass: 832.40
• IUPAC Name: 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
• SMILES: Cc1cc(C)cc(N(c2ccc(C(C)C)cc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C(C)C)cc6)c6cc(C)cc(C)c6)c6ccccc6c45)c3c3ccccc23)c1
• InChI: InChI=1S/C60H52N2O2/c1-35(2)41-17-21-43(22-18-41)61(45-29-37(5)27-38(6)30-45)53-33-55-57(49-15-11-9-13-47(49)53)51-25-26-52-58-50-16-12-10-14-48(50)54(34-56(58)64-60(52)59(51)63-55)62(46-31-39(7)28-40(8)32-46)44-23-19-42(20-24-44)36(3)4/h9-36H,1-8H3
• InChIKey: KDFLCHKLXOIFMA-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.09
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

The IUPAC name of 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (CID 155360920) is 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.

What is the SMILES notation for 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

The canonical SMILES for 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is Cc1cc(C)cc(N(c2ccc(C(C)C)cc2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C(C)C)cc6)c6cc(C)cc(C)c6)c6ccccc6c45)c3c3ccccc23)c1.

What is the InChIKey of 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

The InChIKey is KDFLCHKLXOIFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2O2/c1-35(2)41-17-21-43(22-18-41)61(45-29-37(5)27-38(6)30-45)53-33-55-57(49-15-11-9-13-47(49)53)51-25-26-52-58-50-16-12-10-14-48(50)54(34-56(58)64-60(52)59(51)63-55)62(46-31-39(7)28-40(8)32-46)44-23-19-42(20-24-44)36(3)4/h9-36H,1-8H3.

What are the key properties of 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine has a molecular weight of 833.09 g/mol, XLogP of 18.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,25-N-bis(3,5-dimethylphenyl)-6-N,25-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is sourced from PubChem (CID 155360920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).