8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin

C44H23F5N4 — CID 66696861

IUPAC8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin
SMILESFC1=C(F)/C2=C(\F)C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/F)C1=N2)C(F)=C5c1ccccc1)C(c1ccccc1)=C4c1ccccc1)C=C3
InChIInChI=1S/C44H23F5N4/c45-35-29-22-21-28(50-29)23-30-31(24-13-5-1-6-14-24)32(25-15-7-2-8-16-25)40(51-30)34(27-19-11-4-12-20-27)41-33(26-17-9-3-10-18-26)36(46)43(52-41)39(49)44-38(48)37(47)42(35)53-44/h1-23H/b28-23-,30-23-,35-29+,40-34-,41-34-,42-35+,43-39+,44-39+
InChIKeyJZSVQONDVDHIFC-MDXNAQPPSA-N
MW702.69 g/mol
LogP11.17
Rot. Bonds4

About 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin

8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin (PubChem CID 66696861) has the molecular formula C44H23F5N4 and a molecular weight of 702.69 g/mol. Its IUPAC name is 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin.

Molecular Properties

Compound Name8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin
PubChem CID66696861
Molecular FormulaC44H23F5N4
Molecular Weight702.69 g/mol
Exact Mass702.18
IUPAC Name8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin
SMILESFC1=C(F)/C2=C(\F)C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/F)C1=N2)C(F)=C5c1ccccc1)C(c1ccccc1)=C4c1ccccc1)C=C3
InChIInChI=1S/C44H23F5N4/c45-35-29-22-21-28(50-29)23-30-31(24-13-5-1-6-14-24)32(25-15-7-2-8-16-25)40(51-30)34(27-19-11-4-12-20-27)41-33(26-17-9-3-10-18-26)36(46)43(52-41)39(49)44-38(48)37(47)42(35)53-44/h1-23H/b28-23-,30-23-,35-29+,40-34-,41-34-,42-35+,43-39+,44-39+
InChIKeyJZSVQONDVDHIFC-MDXNAQPPSA-N
XLogP11.17
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.69
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin?
The IUPAC name of 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin (CID 66696861) is 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin.
What is the SMILES notation for 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin?
The canonical SMILES for 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin is FC1=C(F)/C2=C(\F)C3=N/C(=C\C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/F)C1=N2)C(F)=C5c1ccccc1)C(c1ccccc1)=C4c1ccccc1)C=C3.
What is the InChIKey of 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin?
The InChIKey is JZSVQONDVDHIFC-MDXNAQPPSA-N. The full InChI is InChI=1S/C44H23F5N4/c45-35-29-22-21-28(50-29)23-30-31(24-13-5-1-6-14-24)32(25-15-7-2-8-16-25)40(51-30)34(27-19-11-4-12-20-27)41-33(26-17-9-3-10-18-26)36(46)43(52-41)39(49)44-38(48)37(47)42(35)53-44/h1-23H/b28-23-,30-23-,35-29+,40-34-,41-34-,42-35+,43-39+,44-39+.
What are the key properties of 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin?
8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin has a molecular weight of 702.69 g/mol, XLogP of 11.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,12,13,15-pentafluoro-2,3,5,7-tetraphenylporphyrin is sourced from PubChem (CID 66696861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).