5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin

C40H26F2N8 — CID 67022164

IUPAC5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1/C1=C2\C=CC(=N2)/C(c2ccc(F)cc2)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2ccc(F)cc2)=C2/C=CC1=N2
InChIInChI=1S/C40H26F2N8/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/h3-22H,1-2H3/b35-27-,35-29-,36-28-,36-30-,37-31+,37-32+,38-33+,38-34+
InChIKeyBYLCKNOWVIVYQI-KRYHAOAMSA-N
MW656.70 g/mol
LogP7.43
Rot. Bonds4

About 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin

5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin (PubChem CID 67022164) has the molecular formula C40H26F2N8 and a molecular weight of 656.70 g/mol. Its IUPAC name is 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin.

Molecular Properties

Compound Name5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin
PubChem CID67022164
Molecular FormulaC40H26F2N8
Molecular Weight656.70 g/mol
Exact Mass656.22
IUPAC Name5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1/C1=C2\C=CC(=N2)/C(c2ccc(F)cc2)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2ccc(F)cc2)=C2/C=CC1=N2
InChIInChI=1S/C40H26F2N8/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/h3-22H,1-2H3/b35-27-,35-29-,36-28-,36-30-,37-31+,37-32+,38-33+,38-34+
InChIKeyBYLCKNOWVIVYQI-KRYHAOAMSA-N
XLogP7.43
TPSA85.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.70
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin?
The IUPAC name of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin (CID 67022164) is 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin.
What is the SMILES notation for 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin?
The canonical SMILES for 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin is Cn1ccnc1/C1=C2\C=CC(=N2)/C(c2ccc(F)cc2)=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C(c2ccc(F)cc2)=C2/C=CC1=N2.
What is the InChIKey of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin?
The InChIKey is BYLCKNOWVIVYQI-KRYHAOAMSA-N. The full InChI is InChI=1S/C40H26F2N8/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/h3-22H,1-2H3/b35-27-,35-29-,36-28-,36-30-,37-31+,37-32+,38-33+,38-34+.
What are the key properties of 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin?
5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin has a molecular weight of 656.70 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(4-fluorophenyl)-10,20-bis(1-methylimidazol-2-yl)porphyrin is sourced from PubChem (CID 67022164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).