(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin

C44H28F4N4 — CID 118729009

IUPAC(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin
SMILESFc1ccc(/C2=C3\C=CC(N3)/C(c3ccc(F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(F)cc3)C3=N/C(=C(/c4ccc(F)cc4)C4C=CC2=N4)C=C3)cc1
InChIInChI=1S/C44H28F4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,33,39,49-50H/b41-34-,42-35-,43-36-,44-40-
InChIKeyBJAYADOSKOHIDK-HCVUDOQSSA-N
MW688.73 g/mol
LogP7.72
Rot. Bonds4

About (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin

(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin (PubChem CID 118729009) has the molecular formula C44H28F4N4 and a molecular weight of 688.73 g/mol. Its IUPAC name is (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin.

Molecular Properties

Compound Name(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin
PubChem CID118729009
Molecular FormulaC44H28F4N4
Molecular Weight688.73 g/mol
Exact Mass688.23
IUPAC Name(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin
SMILESFc1ccc(/C2=C3\C=CC(N3)/C(c3ccc(F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(F)cc3)C3=N/C(=C(/c4ccc(F)cc4)C4C=CC2=N4)C=C3)cc1
InChIInChI=1S/C44H28F4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,33,39,49-50H/b41-34-,42-35-,43-36-,44-40-
InChIKeyBJAYADOSKOHIDK-HCVUDOQSSA-N
XLogP7.72
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.73
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin?
The IUPAC name of (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin (CID 118729009) is (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin.
What is the SMILES notation for (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin?
The canonical SMILES for (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin is Fc1ccc(/C2=C3\C=CC(N3)/C(c3ccc(F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(F)cc3)C3=N/C(=C(/c4ccc(F)cc4)C4C=CC2=N4)C=C3)cc1.
What is the InChIKey of (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin?
The InChIKey is BJAYADOSKOHIDK-HCVUDOQSSA-N. The full InChI is InChI=1S/C44H28F4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,33,39,49-50H/b41-34-,42-35-,43-36-,44-40-.
What are the key properties of (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin?
(4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin has a molecular weight of 688.73 g/mol, XLogP of 7.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,10Z,15Z,19Z)-5,10,15,20-tetrakis(4-fluorophenyl)-1,9,21,24-tetrahydroporphyrin is sourced from PubChem (CID 118729009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).