5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

C48H28F12N4 — CID 90685220

IUPAC5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)c1ccc(C2=c3ccc([nH]3)=C(c3ccc(C(F)(F)F)cc3)c3ccc([nH]3)C(c3ccc(C(F)(F)F)cc3)=c3ccc([nH]3)=C(c3ccc(C(F)(F)F)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C48H28F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-24,61-64H
InChIKeySVJVNQMKSNVZBW-UHFFFAOYSA-N
MW888.76 g/mol
LogP10.38
Rot. Bonds4

About 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (PubChem CID 90685220) has the molecular formula C48H28F12N4 and a molecular weight of 888.76 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
PubChem CID90685220
Molecular FormulaC48H28F12N4
Molecular Weight888.76 g/mol
Exact Mass888.21
IUPAC Name5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
SMILESFC(F)(F)c1ccc(C2=c3ccc([nH]3)=C(c3ccc(C(F)(F)F)cc3)c3ccc([nH]3)C(c3ccc(C(F)(F)F)cc3)=c3ccc([nH]3)=C(c3ccc(C(F)(F)F)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C48H28F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-24,61-64H
InChIKeySVJVNQMKSNVZBW-UHFFFAOYSA-N
XLogP10.38
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.76
LogP ≤ 510.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
Platinum tetrakis(pentafluorophenyl)porphyrin
CID 5190808
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
Benzenecarboximidamide, 4,4'-(1H-pyrrole-2,5-diyl)bis-
CID 3000768
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
N,N'-(1h-Pyrrole-2,5-Diyldi-4,1-Phenylene)dibenzenecarboximidamide
CID 16122562
(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
Trimethyl-[4-[10-[4-(trifluoromethyl)phenyl]-15,20-bis[4-(trimethylazaniumyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]azanium
CID 136242451
Zinc, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-1)-
CID 6515536
5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin
CID 135404289

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin (CID 90685220) is 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is FC(F)(F)c1ccc(C2=c3ccc([nH]3)=C(c3ccc(C(F)(F)F)cc3)c3ccc([nH]3)C(c3ccc(C(F)(F)F)cc3)=c3ccc([nH]3)=C(c3ccc(C(F)(F)F)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
The InChIKey is SVJVNQMKSNVZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F12N4/c49-45(50,51)29-9-1-25(2-10-29)41-33-17-19-35(61-33)42(26-3-11-30(12-4-26)46(52,53)54)37-21-23-39(63-37)44(28-7-15-32(16-8-28)48(58,59)60)40-24-22-38(64-40)43(36-20-18-34(41)62-36)27-5-13-31(14-6-27)47(55,56)57/h1-24,61-64H.
What are the key properties of 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin has a molecular weight of 888.76 g/mol, XLogP of 10.38, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[4-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90685220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).