5,10,15,20-tetrakis(4-methylphenyl)porphyrin

C48H36N4 — CID 5492157

IUPAC5,10,15,20-tetrakis(4-methylphenyl)porphyrin
SMILESCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC2=N3)cc1
InChIInChI=1S/C48H36N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKeyVWODZMSWQYEWBW-PJEPRTEXSA-N
MW668.84 g/mol
LogP10.92
Rot. Bonds4

About 5,10,15,20-tetrakis(4-methylphenyl)porphyrin

5,10,15,20-tetrakis(4-methylphenyl)porphyrin (PubChem CID 5492157) has the molecular formula C48H36N4 and a molecular weight of 668.84 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-methylphenyl)porphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-methylphenyl)porphyrin
PubChem CID5492157
Molecular FormulaC48H36N4
Molecular Weight668.84 g/mol
Exact Mass668.29
IUPAC Name5,10,15,20-tetrakis(4-methylphenyl)porphyrin
SMILESCc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC2=N3)cc1
InChIInChI=1S/C48H36N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKeyVWODZMSWQYEWBW-PJEPRTEXSA-N
XLogP10.92
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)porphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)porphyrin (CID 5492157) is 5,10,15,20-tetrakis(4-methylphenyl)porphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-methylphenyl)porphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-methylphenyl)porphyrin is Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC(=N3)/C(c3ccc(C)cc3)=C3/C=CC2=N3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-methylphenyl)porphyrin?
The InChIKey is VWODZMSWQYEWBW-PJEPRTEXSA-N. The full InChI is InChI=1S/C48H36N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-.
What are the key properties of 5,10,15,20-tetrakis(4-methylphenyl)porphyrin?
5,10,15,20-tetrakis(4-methylphenyl)porphyrin has a molecular weight of 668.84 g/mol, XLogP of 10.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-methylphenyl)porphyrin is sourced from PubChem (CID 5492157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).