(10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin

C59H22F20N6 — CID 136817325

IUPAC(10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin
SMILESFc1c(F)c(F)c(/C2=C3\C=CC(=N3)/C(c3c(F)c(F)c(F)c(F)c3F)=c3/cc/c([nH]3)=C(\c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)C(C3=N/C(=C(/c4ccccc4)c4ccc[nH]4)C=C3)(c3c(F)c(F)c(F)c(F)c3F)c3ccc2[nH]3)c(F)c1F
InChIInChI=1S/C59H22F20N6/c60-39-35(40(61)48(69)55(76)47(39)68)32-22-8-10-24(81-22)33(36-41(62)49(70)56(77)50(71)42(36)63)26-13-16-29(84-26)59(38-45(66)53(74)58(79)54(75)46(38)67,28-15-12-21(83-28)31(20-7-4-18-80-20)19-5-2-1-3-6-19)30-17-14-27(85-30)34(25-11-9-23(32)82-25)37-43(64)51(72)57(78)52(73)44(37)65/h1-18,80-81,84-85H/b31-21-,32-22+,33-24+,34-25+
InChIKeyMNWCDDFSJDUQLP-ICWCQDKHSA-N
MW1194.83 g/mol
LogP13.82
Rot. Bonds7

About (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin

(10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin (PubChem CID 136817325) has the molecular formula C59H22F20N6 and a molecular weight of 1194.83 g/mol. Its IUPAC name is (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin.

Molecular Properties

Compound Name(10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin
PubChem CID136817325
Molecular FormulaC59H22F20N6
Molecular Weight1194.83 g/mol
Exact Mass1194.16
IUPAC Name(10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin
SMILESFc1c(F)c(F)c(/C2=C3\C=CC(=N3)/C(c3c(F)c(F)c(F)c(F)c3F)=c3/cc/c([nH]3)=C(\c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)C(C3=N/C(=C(/c4ccccc4)c4ccc[nH]4)C=C3)(c3c(F)c(F)c(F)c(F)c3F)c3ccc2[nH]3)c(F)c1F
InChIInChI=1S/C59H22F20N6/c60-39-35(40(61)48(69)55(76)47(39)68)32-22-8-10-24(81-22)33(36-41(62)49(70)56(77)50(71)42(36)63)26-13-16-29(84-26)59(38-45(66)53(74)58(79)54(75)46(38)67,28-15-12-21(83-28)31(20-7-4-18-80-20)19-5-2-1-3-6-19)30-17-14-27(85-30)34(25-11-9-23(32)82-25)37-43(64)51(72)57(78)52(73)44(37)65/h1-18,80-81,84-85H/b31-21-,32-22+,33-24+,34-25+
InChIKeyMNWCDDFSJDUQLP-ICWCQDKHSA-N
XLogP13.82
TPSA87.88 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.83
LogP ≤ 513.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin with MolForge

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Related Compounds

2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
2,12,22-tris(4-methylphenyl)-7,17,27-tris(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),2,4,6,8,10,12,14,16(34),17,19,21,23,25,27,29-hexadecaene
CID 132503776
2,7,12,17,22,27,32,37-octakis(2,3,4,5,6-pentafluorophenyl)-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41)-henicosaene
CID 132566666
7,17,27-trimethyl-2,12,22-tris(2,3,4,5,6-pentafluorophenyl)-7,17,27-triphenyl-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,5,8,10,12,14,16(34),18,20,22,24,26(32),28(31),29-pentadecaene
CID 139291288
(7Z,22Z)-2,2,12,12,17,17,27,27-octamethyl-7,22-bis(2,3,4,5,6-pentafluorophenyl)-33,34,37,38-tetrazaheptacyclo[26.2.2.213,16.13,6.18,11.118,21.123,26]octatriaconta-1(30),3,5,7,9,11(37),13(36),14,16(35),18,20,22,24,26(33),28,31-hexadecaene
CID 139183280
4,5,6,7-tetrafluoro-14,19,24,29,34,39-hexakis(2,3,4,5,6-pentafluorophenyl)-9,43,44,45,46,47,48-heptazadecacyclo[38.2.1.115,18.120,23.125,28.130,33.135,38.02,10.03,8.09,13]octatetraconta-1,3(8),4,6,10,12,14,16,18,20(47),21,23,25,27,29,31,33(45),34,36,38,40(43),41-docosaene
CID 102150740
(9Z,15Z,19Z)-5,10,15,20-tetraphenyl-23,24-dihydro-21H-porphyrin-5-ol
CID 135467032
12,27-bis(2,4,6-trimethylphenyl)-31,32,33,34-tetrazaheptacyclo[26.2.1.18,11.113,16.123,26.02,7.017,22]tetratriaconta-1,3,5,7,9,11,13(33),14,16,18,20,22,24,26,28(31),29-hexadecaene
CID 137274510
6,11,16-tris(2,3,4,5,6-pentafluorophenyl)-8,20,21,23-tetrazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5(23),6,8,10,12,14,16,18-decaene
CID 136916270
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474
2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-4,5,14,15,24,25-hexakis-phenyl-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,5,7,9,11,13(34),14,16,18,20,22,24,26,28(31),29-hexadecaene
CID 102097318
CID 137324353
CID 137324353

Frequently Asked Questions

What is the IUPAC name of (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin?
The IUPAC name of (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin (CID 136817325) is (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin.
What is the SMILES notation for (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin?
The canonical SMILES for (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin is Fc1c(F)c(F)c(/C2=C3\C=CC(=N3)/C(c3c(F)c(F)c(F)c(F)c3F)=c3/cc/c([nH]3)=C(\c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)C(C3=N/C(=C(/c4ccccc4)c4ccc[nH]4)C=C3)(c3c(F)c(F)c(F)c(F)c3F)c3ccc2[nH]3)c(F)c1F.
What is the InChIKey of (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin?
The InChIKey is MNWCDDFSJDUQLP-ICWCQDKHSA-N. The full InChI is InChI=1S/C59H22F20N6/c60-39-35(40(61)48(69)55(76)47(39)68)32-22-8-10-24(81-22)33(36-41(62)49(70)56(77)50(71)42(36)63)26-13-16-29(84-26)59(38-45(66)53(74)58(79)54(75)46(38)67,28-15-12-21(83-28)31(20-7-4-18-80-20)19-5-2-1-3-6-19)30-17-14-27(85-30)34(25-11-9-23(32)82-25)37-43(64)51(72)57(78)52(73)44(37)65/h1-18,80-81,84-85H/b31-21-,32-22+,33-24+,34-25+.
What are the key properties of (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin?
(10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin has a molecular weight of 1194.83 g/mol, XLogP of 13.82, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,14Z,19Z)-5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-5-[(5Z)-5-[phenyl(1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]-22,23-dihydro-21H-porphyrin is sourced from PubChem (CID 136817325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).