9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C74H64N2O2 — CID 155362033

About 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155362033) has the molecular formula C74H64N2O2 and a molecular weight of 1013.34 g/mol. Its IUPAC name is 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 155362033
• Molecular Formula: C74H64N2O2
• Molecular Weight: 1013.34 g/mol
• Exact Mass: 1012.50
• IUPAC Name: 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)C)c2c(oc4cc5cc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)cccc6C)ccc5cc42)c(C(C)C)c13)c1c(C)cccc1C
• InChI: InChI=1S/C74H64N2O2/c1-43(2)67-69-61-37-53-31-33-59(75(71-47(7)19-17-20-48(71)8)63-39-55(29-27-45(63)5)51-23-13-11-14-24-51)35-57(53)41-65(61)78-74(69)68(44(3)4)70-62-38-54-32-34-60(36-58(54)42-66(62)77-73(67)70)76(72-49(9)21-18-22-50(72)10)64-40-56(30-28-46(64)6)52-25-15-12-16-26-52/h11-44H,1-10H3
• InChIKey: PADWKSYKOZQOCI-UHFFFAOYSA-N
• XLogP: 22.16
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.34
LogP ≤ 5	22.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155362033) is 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)C)c2c(oc4cc5cc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)cccc6C)ccc5cc42)c(C(C)C)c13)c1c(C)cccc1C.

What is the InChIKey of 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is PADWKSYKOZQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2O2/c1-43(2)67-69-61-37-53-31-33-59(75(71-47(7)19-17-20-48(71)8)63-39-55(29-27-45(63)5)51-23-13-11-14-24-51)35-57(53)41-65(61)78-74(69)68(44(3)4)70-62-38-54-32-34-60(36-58(54)42-66(62)77-73(67)70)76(72-49(9)21-18-22-50(72)10)64-40-56(30-28-46(64)6)52-25-15-12-16-26-52/h11-44H,1-10H3.

What are the key properties of 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 1013.34 g/mol, XLogP of 22.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-2,16-di(propan-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155362033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).