9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

C66H40N2O2 — CID 155359554

About 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (PubChem CID 155359554) has the molecular formula C66H40N2O2 and a molecular weight of 893.06 g/mol. Its IUPAC name is 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
• PubChem CID: 155359554
• Molecular Formula: C66H40N2O2
• Molecular Weight: 893.06 g/mol
• Exact Mass: 892.31
• IUPAC Name: 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
• SMILES: c1ccc(N(c2ccc3c(ccc4c5cc6oc7c8ccc(N(c9ccccc9)c9cc%10ccccc%10c%10ccccc9%10)cc8ccc7c6cc5oc34)c2)c2cc3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C66H40N2O2/c1-3-17-45(18-4-1)67(61-37-41-15-7-9-21-49(41)53-23-11-13-25-55(53)61)47-29-33-51-43(35-47)27-31-57-59-39-64-60(40-63(59)69-65(51)57)58-32-28-44-36-48(30-34-52(44)66(58)70-64)68(46-19-5-2-6-20-46)62-38-42-16-8-10-22-50(42)54-24-12-14-26-56(54)62/h1-40H
• InChIKey: PTMODOIZNWHTIX-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.06
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (CID 155359554) is 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is c1ccc(N(c2ccc3c(ccc4c5cc6oc7c8ccc(N(c9ccccc9)c9cc%10ccccc%10c%10ccccc9%10)cc8ccc7c6cc5oc34)c2)c2cc3ccccc3c3ccccc23)cc1.

What is the InChIKey of 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The InChIKey is PTMODOIZNWHTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2/c1-3-17-45(18-4-1)67(61-37-41-15-7-9-21-49(41)53-23-11-13-25-55(53)61)47-29-33-51-43(35-47)27-31-57-59-39-64-60(40-63(59)69-65(51)57)58-32-28-44-36-48(30-34-52(44)66(58)70-64)68(46-19-5-2-6-20-46)62-38-42-16-8-10-22-50(42)54-24-12-14-26-56(54)62/h1-40H.

What are the key properties of 9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine has a molecular weight of 893.06 g/mol, XLogP of 19.34, 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-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is sourced from PubChem (CID 155359554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).