2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

C48H29F9N4 — CID 11029223

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C48H29F9N4/c49-45(50,46(51,52)47(53,54)48(55,56)57)32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(59-37)40(28-13-5-1-6-14-28)33-21-22-34(58-33)41(29-15-7-2-8-16-29)36-25-26-38(60-36)43(44(32)61-39)31-19-11-4-12-20-31/h1-27,59,61H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-
InChIKeyYUKZLEZLKSAAQG-FGSSQFOESA-N
MW832.77 g/mol
LogP14.25
Rot. Bonds7

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin (PubChem CID 11029223) has the molecular formula C48H29F9N4 and a molecular weight of 832.77 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
PubChem CID11029223
Molecular FormulaC48H29F9N4
Molecular Weight832.77 g/mol
Exact Mass832.22
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1
InChIInChI=1S/C48H29F9N4/c49-45(50,46(51,52)47(53,54)48(55,56)57)32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(59-37)40(28-13-5-1-6-14-28)33-21-22-34(58-33)41(29-15-7-2-8-16-29)36-25-26-38(60-36)43(44(32)61-39)31-19-11-4-12-20-31/h1-27,59,61H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-
InChIKeyYUKZLEZLKSAAQG-FGSSQFOESA-N
XLogP14.25
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.77
LogP ≤ 514.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin 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-bromo-10,20-diphenyl-15-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-21,22-dihydroporphyrin
CID 11665098
2-methyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 10031928
15-ethynyl-10,20-diphenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-21,22-dihydroporphyrin
CID 11643613
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
CID 169095894
CID 169095894
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-21,23-dihydroporphyrin
CID 146020180
10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
CID 10723040
5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin
CID 135541464
2-(4-bromophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 154013194
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
zinc;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 173229140

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin (CID 11029223) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc2[nH]c1c(-c1ccccc1)c1nc(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c2-c2ccccc2)C=C3)C=C1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
The InChIKey is YUKZLEZLKSAAQG-FGSSQFOESA-N. The full InChI is InChI=1S/C48H29F9N4/c49-45(50,46(51,52)47(53,54)48(55,56)57)32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(59-37)40(28-13-5-1-6-14-28)33-21-22-34(58-33)41(29-15-7-2-8-16-29)36-25-26-38(60-36)43(44(32)61-39)31-19-11-4-12-20-31/h1-27,59,61H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43-.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin has a molecular weight of 832.77 g/mol, XLogP of 14.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin is sourced from PubChem (CID 11029223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).