5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin

C40H30F2N8 — CID 90736669

IUPAC5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
SMILESCn1ccnc1C1=c2ccc([nH]2)=C(c2ccc(F)cc2)c2ccc([nH]2)C(c2nccn2C)=c2ccc([nH]2)=C(c2ccc(F)cc2)c2ccc1[nH]2
InChIInChI=1S/C40H30F2N8/c1-49-21-19-43-39(49)37-31-15-11-27(45-31)35(23-3-7-25(41)8-4-23)29-13-17-33(47-29)38(40-44-20-22-50(40)2)34-18-14-30(48-34)36(28-12-16-32(37)46-28)24-5-9-26(42)10-6-24/h3-22,45-48H,1-2H3
InChIKeyZGQZFQRBJGUAHY-UHFFFAOYSA-N
MW660.73 g/mol
LogP4.05
Rot. Bonds4

About 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin

5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 90736669) has the molecular formula C40H30F2N8 and a molecular weight of 660.73 g/mol. Its IUPAC name is 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
PubChem CID90736669
Molecular FormulaC40H30F2N8
Molecular Weight660.73 g/mol
Exact Mass660.26
IUPAC Name5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
SMILESCn1ccnc1C1=c2ccc([nH]2)=C(c2ccc(F)cc2)c2ccc([nH]2)C(c2nccn2C)=c2ccc([nH]2)=C(c2ccc(F)cc2)c2ccc1[nH]2
InChIInChI=1S/C40H30F2N8/c1-49-21-19-43-39(49)37-31-15-11-27(45-31)35(23-3-7-25(41)8-4-23)29-13-17-33(47-29)38(40-44-20-22-50(40)2)34-18-14-30(48-34)36(28-12-16-32(37)46-28)24-5-9-26(42)10-6-24/h3-22,45-48H,1-2H3
InChIKeyZGQZFQRBJGUAHY-UHFFFAOYSA-N
XLogP4.05
TPSA98.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.73
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471832
6-fluoro-3-[[5-[(4-fluorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471924
3-(1H-benzimidazol-2-yl)-5-phenyl-1-(2-pyridyl)pyrrol-2-amine
CID 71450629
(1H-Indol-3-ylmethyl)-(1-methyl-1H-benzoimidazol-2-yl)-amine
CID 652872
2-(1-methylindol-3-yl)-1H-benzimidazole
CID 874111
4-[5-(4-Fluoro-phenyl)-2-phenyl-3H-imidazol-4-yl]-pyridine
CID 9836535
4-[5-(4-Fluorophenyl)-3-(3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridine
CID 10066478
4-[5-(4-Fluoro-phenyl)-2-p-tolyl-3H-imidazol-4-yl]-pyridine
CID 10246001
N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
CID 10452739
4-[2-Cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10567785
4-[2,5-Bis-(4-fluoro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10592750
4-[5-(4-Fluoro-phenyl)-2-phenethyl-3H-imidazol-4-yl]-pyridine
CID 11024350

Frequently Asked Questions

What is the IUPAC name of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin (CID 90736669) is 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin is Cn1ccnc1C1=c2ccc([nH]2)=C(c2ccc(F)cc2)c2ccc([nH]2)C(c2nccn2C)=c2ccc([nH]2)=C(c2ccc(F)cc2)c2ccc1[nH]2.
What is the InChIKey of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is ZGQZFQRBJGUAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30F2N8/c1-49-21-19-43-39(49)37-31-15-11-27(45-31)35(23-3-7-25(41)8-4-23)29-13-17-33(47-29)38(40-44-20-22-50(40)2)34-18-14-30(48-34)36(28-12-16-32(37)46-28)24-5-9-26(42)10-6-24/h3-22,45-48H,1-2H3.
What are the key properties of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 660.73 g/mol, XLogP of 4.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90736669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).