10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin

C44H10F20N4 — CID 71431125

IUPAC10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin
SMILESFc1c(F)c(F)c(-c2c(-c3c(F)c(F)c(F)c(F)c3F)c3c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(cc5ccc(cc6nc(cc2n3-c2c(F)c(F)c(F)c(F)c2F)C=C6)[nH]5)C=C4)c(F)c1F
InChIInChI=1S/C44H10F20N4/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64/h1-9,65H/b10-7-,11-7-,12-8-,13-8-,14-9-,16-9-,17-15-,43-17+
InChIKeyLYMVHNBGCIAWOO-FZHHGVEASA-N
MW974.55 g/mol
LogP13.90
Rot. Bonds4

About 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin

10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin (PubChem CID 71431125) has the molecular formula C44H10F20N4 and a molecular weight of 974.55 g/mol. Its IUPAC name is 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin.

Molecular Properties

Compound Name10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin
PubChem CID71431125
Molecular FormulaC44H10F20N4
Molecular Weight974.55 g/mol
Exact Mass974.06
IUPAC Name10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin
SMILESFc1c(F)c(F)c(-c2c(-c3c(F)c(F)c(F)c(F)c3F)c3c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(cc5ccc(cc6nc(cc2n3-c2c(F)c(F)c(F)c(F)c2F)C=C6)[nH]5)C=C4)c(F)c1F
InChIInChI=1S/C44H10F20N4/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64/h1-9,65H/b10-7-,11-7-,12-8-,13-8-,14-9-,16-9-,17-15-,43-17+
InChIKeyLYMVHNBGCIAWOO-FZHHGVEASA-N
XLogP13.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.55
LogP ≤ 513.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
5,15-Dibromo-10,20-diphenylporphine
CID 11192872
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 135405350
Ttmapp
CID 135433388
(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
10,20,30,34-Tetrazanonacyclo[31.7.0.03,11.04,9.013,21.014,19.023,31.024,29.035,40]tetraconta-1(33),3(11),4,6,8,13(21),14,16,18,23(31),24,26,28,35,37,39-hexadecaene
CID 70685689
Trimethyl-[4-[10-[4-(trifluoromethyl)phenyl]-15,20-bis[4-(trimethylazaniumyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]azanium
CID 136242451
5,10,15-tris(2,3,5,6-tetrafluorophenyl)-22,23-dihydro-21H-corrin
CID 136825567

Frequently Asked Questions

What is the IUPAC name of 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin?
The IUPAC name of 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin (CID 71431125) is 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin.
What is the SMILES notation for 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin?
The canonical SMILES for 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin is Fc1c(F)c(F)c(-c2c(-c3c(F)c(F)c(F)c(F)c3F)c3c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(cc5ccc(cc6nc(cc2n3-c2c(F)c(F)c(F)c(F)c2F)C=C6)[nH]5)C=C4)c(F)c1F.
What is the InChIKey of 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin?
The InChIKey is LYMVHNBGCIAWOO-FZHHGVEASA-N. The full InChI is InChI=1S/C44H10F20N4/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64/h1-9,65H/b10-7-,11-7-,12-8-,13-8-,14-9-,16-9-,17-15-,43-17+.
What are the key properties of 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin?
10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin has a molecular weight of 974.55 g/mol, XLogP of 13.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin is sourced from PubChem (CID 71431125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).