9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene

C66H10F34N6 — CID 102098240

IUPAC9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene
SMILESFC1=C(F)c2nc1c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c2-c2c(F)c(F)c(F)c(F)c2F)C=C4)C(F)=C3F)C=C1
InChIInChI=1S/C66H10F34N6/c67-29-23(30(68)42(80)53(91)41(29)79)17-9-1-5-13(101-9)19(25-33(71)45(83)55(93)46(84)34(25)72)63-59(97)60(98)64(105-63)21(27-37(75)49(87)57(95)50(88)38(27)76)15-7-3-11(103-15)18(24-31(69)43(81)54(92)44(82)32(24)70)12-4-8-16(104-12)22(28-39(77)51(89)58(96)52(90)40(28)78)66-62(100)61(99)65(106-66)20(14-6-2-10(17)102-14)26-35(73)47(85)56(94)48(86)36(26)74/h1-8,101,104H/b17-9-,17-10-,18-11-,18-12-,19-13+,20-14+,21-15+,22-16+,63-19-,64-21-,65-20-,66-22-
InChIKeyFBVPUWFYNPGSBV-UUWPADEUSA-N
MW1532.78 g/mol
LogP22.03
Rot. Bonds6

About 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene

9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene (PubChem CID 102098240) has the molecular formula C66H10F34N6 and a molecular weight of 1532.78 g/mol. Its IUPAC name is 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene.

Molecular Properties

Compound Name9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene
PubChem CID102098240
Molecular FormulaC66H10F34N6
Molecular Weight1532.78 g/mol
Exact Mass1532.04
IUPAC Name9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene
SMILESFC1=C(F)c2nc1c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c2-c2c(F)c(F)c(F)c(F)c2F)C=C4)C(F)=C3F)C=C1
InChIInChI=1S/C66H10F34N6/c67-29-23(30(68)42(80)53(91)41(29)79)17-9-1-5-13(101-9)19(25-33(71)45(83)55(93)46(84)34(25)72)63-59(97)60(98)64(105-63)21(27-37(75)49(87)57(95)50(88)38(27)76)15-7-3-11(103-15)18(24-31(69)43(81)54(92)44(82)32(24)70)12-4-8-16(104-12)22(28-39(77)51(89)58(96)52(90)40(28)78)66-62(100)61(99)65(106-66)20(14-6-2-10(17)102-14)26-35(73)47(85)56(94)48(86)36(26)74/h1-8,101,104H/b17-9-,17-10-,18-11-,18-12-,19-13+,20-14+,21-15+,22-16+,63-19-,64-21-,65-20-,66-22-
InChIKeyFBVPUWFYNPGSBV-UUWPADEUSA-N
XLogP22.03
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001532.78
LogP ≤ 522.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene with MolForge

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Related Compounds

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5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
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5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
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Ttmapp
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5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
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Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
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Tetrakis(o-aminophenyl)porphyrin
CID 135431066
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777

Frequently Asked Questions

What is the IUPAC name of 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene?
The IUPAC name of 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene (CID 102098240) is 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene.
What is the SMILES notation for 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene?
The canonical SMILES for 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene is FC1=C(F)c2nc1c(-c1c(F)c(F)c(F)c(F)c1F)c1nc(c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c2-c2c(F)c(F)c(F)c(F)c2F)C=C4)C(F)=C3F)C=C1.
What is the InChIKey of 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene?
The InChIKey is FBVPUWFYNPGSBV-UUWPADEUSA-N. The full InChI is InChI=1S/C66H10F34N6/c67-29-23(30(68)42(80)53(91)41(29)79)17-9-1-5-13(101-9)19(25-33(71)45(83)55(93)46(84)34(25)72)63-59(97)60(98)64(105-63)21(27-37(75)49(87)57(95)50(88)38(27)76)15-7-3-11(103-15)18(24-31(69)43(81)54(92)44(82)32(24)70)12-4-8-16(104-12)22(28-39(77)51(89)58(96)52(90)40(28)78)66-62(100)61(99)65(106-66)20(14-6-2-10(17)102-14)26-35(73)47(85)56(94)48(86)36(26)74/h1-8,101,104H/b17-9-,17-10-,18-11-,18-12-,19-13+,20-14+,21-15+,22-16+,63-19-,64-21-,65-20-,66-22-.
What are the key properties of 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene?
9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene has a molecular weight of 1532.78 g/mol, XLogP of 22.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,24,25-tetrafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecaene is sourced from PubChem (CID 102098240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).