19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene

C48H30B2F6 — CID 170525646

About 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene

19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene (PubChem CID 170525646) has the molecular formula C48H30B2F6 and a molecular weight of 742.38 g/mol. Its IUPAC name is 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene.

Molecular Properties

• Compound Name: 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene
• PubChem CID: 170525646
• Molecular Formula: C48H30B2F6
• Molecular Weight: 742.38 g/mol
• Exact Mass: 742.24
• IUPAC Name: 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene
• SMILES: CC(C)c1cc2c3c(cc4c(C(C)C)cc5c6c(cc1c3c46)B1c3ccccc3-c3cc(C(F)(F)F)cc-5c31)B1c3ccccc3-c3cc(C(F)(F)F)cc-2c31
• InChI: InChI=1S/C48H30B2F6/c1-21(2)27-17-29-35-15-23(47(51,52)53)13-33-25-9-6-8-12-38(25)50(45(33)35)40-20-32-28(22(3)4)18-30-36-16-24(48(54,55)56)14-34-26-10-5-7-11-37(26)49(46(34)36)39-19-31(27)43(41(29)40)44(32)42(30)39/h5-22H,1-4H3
• InChIKey: DTGYBSKFFZONKS-UHFFFAOYSA-N
• XLogP: 9.82
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.38
LogP ≤ 5	9.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene?

The IUPAC name of 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene (CID 170525646) is 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene.

What is the SMILES notation for 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene?

The canonical SMILES for 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene is CC(C)c1cc2c3c(cc4c(C(C)C)cc5c6c(cc1c3c46)B1c3ccccc3-c3cc(C(F)(F)F)cc-5c31)B1c3ccccc3-c3cc(C(F)(F)F)cc-2c31.

What is the InChIKey of 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene?

The InChIKey is DTGYBSKFFZONKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30B2F6/c1-21(2)27-17-29-35-15-23(47(51,52)53)13-33-25-9-6-8-12-38(25)50(45(33)35)40-20-32-28(22(3)4)18-30-36-16-24(48(54,55)56)14-34-26-10-5-7-11-37(26)49(46(34)36)39-19-31(27)43(41(29)40)44(32)42(30)39/h5-22H,1-4H3.

What are the key properties of 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene?

19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene has a molecular weight of 742.38 g/mol, XLogP of 9.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 19,37-di(propan-2-yl)-14,32-bis(trifluoromethyl)-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(39),2,4(40),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35,37-icosaene is sourced from PubChem (CID 170525646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).