14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene

C51H32N4O+2 — CID 161159713

About 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene

14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene (PubChem CID 161159713) has the molecular formula C51H32N4O+2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene.

Molecular Properties

• Compound Name: 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene
• PubChem CID: 161159713
• Molecular Formula: C51H32N4O+2
• Molecular Weight: 716.84 g/mol
• Exact Mass: 716.26
• IUPAC Name: 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene
• SMILES: CC1(C)c2ccc[n+]3c2-n2c4c1cccc4c1ccc4c(c12)C31c2c(ccc3c5cccc6c5n(c23)-c2c(ccc[n+]21)C6(c1ccccc1)c1ccccc1)O4
• InChI: InChI=1S/C51H32N4O/c1-49(2)35-19-9-17-31-33-23-25-39-41-45(33)54(43(31)35)47-37(49)21-11-27-52(47)51(41)42-40(56-39)26-24-34-32-18-10-20-36-44(32)55(46(34)42)48-38(22-12-28-53(48)51)50(36,29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-28H,1-2H3/q+2
• InChIKey: HISPLFWLSJICBV-UHFFFAOYSA-N
• XLogP: 9.82
• TPSA: 26.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.84
LogP ≤ 5	9.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene?

The IUPAC name of 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene (CID 161159713) is 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene.

What is the SMILES notation for 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene?

The canonical SMILES for 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene is CC1(C)c2ccc[n+]3c2-n2c4c1cccc4c1ccc4c(c12)C31c2c(ccc3c5cccc6c5n(c23)-c2c(ccc[n+]21)C6(c1ccccc1)c1ccccc1)O4.

What is the InChIKey of 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene?

The InChIKey is HISPLFWLSJICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-49(2)35-19-9-17-31-33-23-25-39-41-45(33)54(43(31)35)47-37(49)21-11-27-52(47)51(41)42-40(56-39)26-24-34-32-18-10-20-36-44(32)55(46(34)42)48-38(22-12-28-53(48)51)50(36,29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-28H,1-2H3/q+2.

What are the key properties of 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene?

14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene has a molecular weight of 716.84 g/mol, XLogP of 9.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-34,34-diphenyl-24-oxa-1,7-diaza-9,39-diazoniatridecacyclo[27.11.1.17,15.02,28.03,25.04,9.04,39.05,23.06,20.08,13.033,41.035,40.019,42]dotetraconta-2(28),3(25),5(23),6(20),8(13),9,11,15,17,19(42),21,26,29(41),30,32,35(40),36,38-octadecaene is sourced from PubChem (CID 161159713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).