2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin

C45H27F3N4 — CID 175231803

IUPAC2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin
SMILESFC(F)(F)C1=C(c2ccccc2)/C2=C(\c3ccccc3)C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C(c1ccccc1)=C3c1ccccc1
InChIInChI=1S/C45H27F3N4/c46-45(47,48)42-37-27-35-24-22-33(50-35)25-32-21-23-34(49-32)26-36-38(28-13-5-1-6-14-28)39(29-15-7-2-8-16-29)43(51-36)41(31-19-11-4-12-20-31)44(52-37)40(42)30-17-9-3-10-18-30/h1-27H/b32-25-,33-25-,34-26-,35-27-,36-26-,37-27-,43-41-,44-41-
InChIKeyUYSYJNIRQPROTH-UGNYBRDPSA-N
MW680.73 g/mol
LogP10.62
Rot. Bonds4

About 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin

2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin (PubChem CID 175231803) has the molecular formula C45H27F3N4 and a molecular weight of 680.73 g/mol. Its IUPAC name is 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin.

Molecular Properties

Compound Name2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin
PubChem CID175231803
Molecular FormulaC45H27F3N4
Molecular Weight680.73 g/mol
Exact Mass680.22
IUPAC Name2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin
SMILESFC(F)(F)C1=C(c2ccccc2)/C2=C(\c3ccccc3)C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C(c1ccccc1)=C3c1ccccc1
InChIInChI=1S/C45H27F3N4/c46-45(47,48)42-37-27-35-24-22-33(50-35)25-32-21-23-34(49-32)26-36-38(28-13-5-1-6-14-28)39(29-15-7-2-8-16-29)43(51-36)41(31-19-11-4-12-20-31)44(52-37)40(42)30-17-9-3-10-18-30/h1-27H/b32-25-,33-25-,34-26-,35-27-,36-26-,37-27-,43-41-,44-41-
InChIKeyUYSYJNIRQPROTH-UGNYBRDPSA-N
XLogP10.62
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.73
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin
CID 118729009
1,4-Bis-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-diene
CID 101367858
2,7-Bis(2,3,4,5,6-pentafluorophenyl)-12,13-diphenyl-17,18,19-triazatetracyclo[12.2.1.13,6.18,11]nonadeca-1(17),2,4,6(19),7,9,11,13,15-nonaene
CID 101793843
CID 518895
CID 518895
2-(3-Fluorophenyl)-2-[2-(3-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
CID 21441319
2-(4-Fluorophenyl)-2-[2-(4-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
CID 21441340
2-(2-Fluorophenyl)-2-[2-(2-fluorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
CID 22174300
8,10,12,13,15-Pentafluoro-2,3,5,7-tetraphenylporphyrin
CID 66696861
2,3,5,7-Tetrakis(2-fluorophenyl)porphyrin
CID 67905133
2,2,2-Trifluoro-1-(3,5,7,8-tetraphenylporphyrin-2-yl)ethanone
CID 69804466
2,3,5,7-Tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin
CID 87074607
5,10,15,20-Tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin
CID 87083152

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin?
The IUPAC name of 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin (CID 175231803) is 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin.
What is the SMILES notation for 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin?
The canonical SMILES for 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin is FC(F)(F)C1=C(c2ccccc2)/C2=C(\c3ccccc3)C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C(c1ccccc1)=C3c1ccccc1.
What is the InChIKey of 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin?
The InChIKey is UYSYJNIRQPROTH-UGNYBRDPSA-N. The full InChI is InChI=1S/C45H27F3N4/c46-45(47,48)42-37-27-35-24-22-33(50-35)25-32-21-23-34(49-32)26-36-38(28-13-5-1-6-14-28)39(29-15-7-2-8-16-29)43(51-36)41(31-19-11-4-12-20-31)44(52-37)40(42)30-17-9-3-10-18-30/h1-27H/b32-25-,33-25-,34-26-,35-27-,36-26-,37-27-,43-41-,44-41-.
What are the key properties of 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin?
2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin has a molecular weight of 680.73 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetraphenyl-8-(trifluoromethyl)porphyrin is sourced from PubChem (CID 175231803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).