6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene

C52H22F8N12 — CID 164815593

About 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene

6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene (PubChem CID 164815593) has the molecular formula C52H22F8N12 and a molecular weight of 966.82 g/mol. Its IUPAC name is 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
• PubChem CID: 164815593
• Molecular Formula: C52H22F8N12
• Molecular Weight: 966.82 g/mol
• Exact Mass: 966.20
• IUPAC Name: 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene
• SMILES: Fc1nc2c(nc1F)-c1nc-2c(-c2ccccc2)c2[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[nH]c(c1-c1ccccc1)c1nc(F)c(F)nc41)-c1nc(F)c(F)nc1-3)c1nc(F)c(F)nc21
• InChI: InChI=1S/C52H22F8N12/c53-45-47(55)67-39-31-26(22-15-7-2-8-16-22)33-41-43(71-51(59)49(57)69-41)35(63-33)28(24-19-11-4-12-20-24)36-44-42(70-50(58)52(60)72-44)34(64-36)27(23-17-9-3-10-18-23)32-40-38(66-46(54)48(56)68-40)30(62-32)25(21-13-5-1-6-14-21)29(61-31)37(39)65-45/h1-20,61,64H/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28-
• InChIKey: IIOLWGHCPCRFTO-ZZPYRCORSA-N
• XLogP: 12.23
• TPSA: 160.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.82
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The IUPAC name of 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene (CID 164815593) is 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene.

What is the SMILES notation for 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The canonical SMILES for 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene is Fc1nc2c(nc1F)-c1nc-2c(-c2ccccc2)c2[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4[nH]c(c1-c1ccccc1)c1nc(F)c(F)nc41)-c1nc(F)c(F)nc1-3)c1nc(F)c(F)nc21.

What is the InChIKey of 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

The InChIKey is IIOLWGHCPCRFTO-ZZPYRCORSA-N. The full InChI is InChI=1S/C52H22F8N12/c53-45-47(55)67-39-31-26(22-15-7-2-8-16-22)33-41-43(71-51(59)49(57)69-41)35(63-33)28(24-19-11-4-12-20-24)36-44-42(70-50(58)52(60)72-44)34(64-36)27(23-17-9-3-10-18-23)32-40-38(66-46(54)48(56)68-40)30(62-32)25(21-13-5-1-6-14-21)29(61-31)37(39)65-45/h1-20,61,64H/b29-25-,30-25-,31-26-,32-27-,33-26-,34-27-,35-28-,36-28-.

What are the key properties of 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene?

6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene has a molecular weight of 966.82 g/mol, XLogP of 12.23, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7,15,16,24,25,33,34-octafluoro-2,11,20,29-tetraphenyl-5,8,14,17,23,26,32,35,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene is sourced from PubChem (CID 164815593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).