(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin

C48H40N4O4 — CID 139253411

IUPAC(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin
SMILESCOc1ccc(/C2=C3\C=CC(N3)C(c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4ccc([nH]4)/C(c4ccc(OC)cc4)=C4/C=CC2=N4)C=C3)cc1
InChIInChI=1S/C48H40N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,37,45,49,52H,1-4H3/b46-39-,47-40-,48-43-
InChIKeyLDGHELPNXRTNGQ-NVWBGVBHSA-N
MW736.87 g/mol
LogP9.33
Rot. Bonds8

About (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin

(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin (PubChem CID 139253411) has the molecular formula C48H40N4O4 and a molecular weight of 736.87 g/mol. Its IUPAC name is (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Name(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin
PubChem CID139253411
Molecular FormulaC48H40N4O4
Molecular Weight736.87 g/mol
Exact Mass736.30
IUPAC Name(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin
SMILESCOc1ccc(/C2=C3\C=CC(N3)C(c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4ccc([nH]4)/C(c4ccc(OC)cc4)=C4/C=CC2=N4)C=C3)cc1
InChIInChI=1S/C48H40N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,37,45,49,52H,1-4H3/b46-39-,47-40-,48-43-
InChIKeyLDGHELPNXRTNGQ-NVWBGVBHSA-N
XLogP9.33
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.87
LogP ≤ 59.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin?
The IUPAC name of (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin (CID 139253411) is (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin.
What is the SMILES notation for (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin?
The canonical SMILES for (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin is COc1ccc(/C2=C3\C=CC(N3)C(c3ccc(OC)cc3)C3=N/C(=C(/c4ccc(OC)cc4)c4ccc([nH]4)/C(c4ccc(OC)cc4)=C4/C=CC2=N4)C=C3)cc1.
What is the InChIKey of (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin?
The InChIKey is LDGHELPNXRTNGQ-NVWBGVBHSA-N. The full InChI is InChI=1S/C48H40N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,37,45,49,52H,1-4H3/b46-39-,47-40-,48-43-.
What are the key properties of (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin?
(4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin has a molecular weight of 736.87 g/mol, XLogP of 9.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9Z,15Z)-5,10,15,20-tetrakis(4-methoxyphenyl)-1,20,21,23-tetrahydroporphyrin is sourced from PubChem (CID 139253411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).