5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin

C44H24F8N4 — CID 54483995

IUPAC5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
SMILESFc1cccc(F)c1C1=c2ccc([nH]2)=C(c2c(F)cccc2F)c2ccc([nH]2)C(c2c(F)cccc2F)=c2ccc([nH]2)=C(c2c(F)cccc2F)c2ccc1[nH]2
InChIInChI=1S/C44H24F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-56H
InChIKeySCVCNHHIIYHIPU-UHFFFAOYSA-N
MW760.69 g/mol
LogP7.41
Rot. Bonds4

About 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 54483995) has the molecular formula C44H24F8N4 and a molecular weight of 760.69 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID54483995
Molecular FormulaC44H24F8N4
Molecular Weight760.69 g/mol
Exact Mass760.19
IUPAC Name5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin
SMILESFc1cccc(F)c1C1=c2ccc([nH]2)=C(c2c(F)cccc2F)c2ccc([nH]2)C(c2c(F)cccc2F)=c2ccc([nH]2)=C(c2c(F)cccc2F)c2ccc1[nH]2
InChIInChI=1S/C44H24F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-56H
InChIKeySCVCNHHIIYHIPU-UHFFFAOYSA-N
XLogP7.41
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.69
LogP ≤ 57.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-Diphenyl-1H-pyrrole
CID 244877
5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
1H-Pyrrole, 2,3,4,5-tetraphenyl-
CID 76753
5,15-Diphenyl-21H,23H-porphine
CID 10895852
Platinum tetrakis(pentafluorophenyl)porphyrin
CID 5190808
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 135405350
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin (CID 54483995) is 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin is Fc1cccc(F)c1C1=c2ccc([nH]2)=C(c2c(F)cccc2F)c2ccc([nH]2)C(c2c(F)cccc2F)=c2ccc([nH]2)=C(c2c(F)cccc2F)c2ccc1[nH]2.
What is the InChIKey of 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is SCVCNHHIIYHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-56H.
What are the key properties of 5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 760.69 g/mol, XLogP of 7.41, 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(2,6-difluorophenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54483995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).