5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin

C48H24F12N4 — CID 87400456

IUPAC5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin
SMILESFC(F)(F)c1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC1=N2
InChIInChI=1S/C48H24F12N4/c49-45(50,51)29-13-5-1-9-25(29)41-33-17-19-35(61-33)42(26-10-2-6-14-30(26)46(52,53)54)37-21-23-39(63-37)44(28-12-4-8-16-32(28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-11-3-7-15-31(27)47(55,56)57/h1-24H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyWZZIISBTTVHKHF-LWQDQPMZSA-N
MW884.72 g/mol
LogP13.76
Rot. Bonds4

About 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin

5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin (PubChem CID 87400456) has the molecular formula C48H24F12N4 and a molecular weight of 884.72 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin
PubChem CID87400456
Molecular FormulaC48H24F12N4
Molecular Weight884.72 g/mol
Exact Mass884.18
IUPAC Name5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin
SMILESFC(F)(F)c1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC1=N2
InChIInChI=1S/C48H24F12N4/c49-45(50,51)29-13-5-1-9-25(29)41-33-17-19-35(61-33)42(26-10-2-6-14-30(26)46(52,53)54)37-21-23-39(63-37)44(28-12-4-8-16-32(28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-11-3-7-15-31(27)47(55,56)57/h1-24H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyWZZIISBTTVHKHF-LWQDQPMZSA-N
XLogP13.76
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.72
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin?
The IUPAC name of 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin (CID 87400456) is 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin is FC(F)(F)c1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC(=N2)/C(c2ccccc2C(F)(F)F)=C2/C=CC1=N2.
What is the InChIKey of 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin?
The InChIKey is WZZIISBTTVHKHF-LWQDQPMZSA-N. The full InChI is InChI=1S/C48H24F12N4/c49-45(50,51)29-13-5-1-9-25(29)41-33-17-19-35(61-33)42(26-10-2-6-14-30(26)46(52,53)54)37-21-23-39(63-37)44(28-12-4-8-16-32(28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-11-3-7-15-31(27)47(55,56)57/h1-24H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin?
5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin has a molecular weight of 884.72 g/mol, XLogP of 13.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[2-(trifluoromethyl)phenyl]porphyrin is sourced from PubChem (CID 87400456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).