9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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

C66H48N2O2 — CID 155360892

About 9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 155360892) has the molecular formula C66H48N2O2 and a molecular weight of 901.12 g/mol. Its IUPAC name is 9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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: 155360892
• Molecular Formula: C66H48N2O2
• Molecular Weight: 901.12 g/mol
• Exact Mass: 900.37
• IUPAC Name: 9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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: Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1cc2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cc(-c5ccccc5)ccc4C)ccc3cc12)c1cc(-c2ccccc2)ccc1C
• InChI: InChI=1S/C66H48N2O2/c1-41-15-11-13-21-59(41)67(61-35-49(25-23-43(61)3)45-17-7-5-8-18-45)53-29-27-47-33-55-57-39-66-58(40-65(57)69-63(55)37-51(47)31-53)56-34-48-28-30-54(32-52(48)38-64(56)70-66)68(60-22-14-12-16-42(60)2)62-36-50(26-24-44(62)4)46-19-9-6-10-20-46/h5-40H,1-4H3
• InChIKey: MBIPTQOFYNXBKM-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.12
LogP ≤ 5	19.30
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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 155360892) is 9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1cc2c(cc13)oc1cc3cc(N(c4ccccc4C)c4cc(-c5ccccc5)ccc4C)ccc3cc12)c1cc(-c2ccccc2)ccc1C.

What is the InChIKey of 9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 MBIPTQOFYNXBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2O2/c1-41-15-11-13-21-59(41)67(61-35-49(25-23-43(61)3)45-17-7-5-8-18-45)53-29-27-47-33-55-57-39-66-58(40-65(57)69-63(55)37-51(47)31-53)56-34-48-28-30-54(32-52(48)38-64(56)70-66)68(60-22-14-12-16-42(60)2)62-36-50(26-24-44(62)4)46-19-9-6-10-20-46/h5-40H,1-4H3.

What are the key properties of 9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 901.12 g/mol, XLogP of 19.30, 8 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-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-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 155360892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).