9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C55H42N2O2 — CID 155360913

About 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 155360913) has the molecular formula C55H42N2O2 and a molecular weight of 762.95 g/mol. Its IUPAC name is 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• PubChem CID: 155360913
• Molecular Formula: C55H42N2O2
• Molecular Weight: 762.95 g/mol
• Exact Mass: 762.32
• IUPAC Name: 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
• SMILES: Cc1ccc(C)c(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)ccc7C)ccc6cc5c3cc24)c1
• InChI: InChI=1S/C55H42N2O2/c1-33-16-18-35(3)50(24-33)56(42-12-8-6-9-13-42)44-22-20-38-28-46-48-32-49-47-29-39-21-23-45(57(43-14-10-7-11-15-43)51-25-34(2)17-19-36(51)4)27-41(39)31-53(47)59-55(49)37(5)54(48)58-52(46)30-40(38)26-44/h6-32H,1-5H3
• InChIKey: DIMWTUYVVDRSKI-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.95
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 155360913) is 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1ccc(C)c(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccccc7)c7cc(C)ccc7C)ccc6cc5c3cc24)c1.

What is the InChIKey of 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

The InChIKey is DIMWTUYVVDRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2O2/c1-33-16-18-35(3)50(24-33)56(42-12-8-6-9-13-42)44-22-20-38-28-46-48-32-49-47-29-39-21-23-45(57(43-14-10-7-11-15-43)51-25-34(2)17-19-36(51)4)27-41(39)31-53(47)59-55(49)37(5)54(48)58-52(46)30-40(38)26-44/h6-32H,1-5H3.

What are the key properties of 9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?

9-N,23-N-bis(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 762.95 g/mol, XLogP of 16.27, 6 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(2,5-dimethylphenyl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155360913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).