(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin

C36H32N4 — CID 89086428

IUPAC(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin
SMILESCc1ccc(/C2=c3\cc/c([nH]3)=C/C3=N/C(=C(/c4c(C)cc(C)cc4C)C4=CCC(/C=C5/C=CC2=N5)N4)C=C3)cc1
InChIInChI=1S/C36H32N4/c1-21-5-7-25(8-6-21)35-30-13-9-26(37-30)19-28-11-15-32(39-28)36(34-23(3)17-22(2)18-24(34)4)33-16-12-29(40-33)20-27-10-14-31(35)38-27/h5-11,13-20,29,37,40H,12H2,1-4H3/b26-19-,27-20-,35-30-,36-32+
InChIKeyLPTWEXMOEHVLOI-AXFAYLPNSA-N
MW520.68 g/mol
LogP5.80
Rot. Bonds2

About (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin

(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin (PubChem CID 89086428) has the molecular formula C36H32N4 and a molecular weight of 520.68 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin.

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin
PubChem CID89086428
Molecular FormulaC36H32N4
Molecular Weight520.68 g/mol
Exact Mass520.26
IUPAC Name(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin
SMILESCc1ccc(/C2=c3\cc/c([nH]3)=C/C3=N/C(=C(/c4c(C)cc(C)cc4C)C4=CCC(/C=C5/C=CC2=N5)N4)C=C3)cc1
InChIInChI=1S/C36H32N4/c1-21-5-7-25(8-6-21)35-30-13-9-26(37-30)19-28-11-15-32(39-28)36(34-23(3)17-22(2)18-24(34)4)33-16-12-29(40-33)20-27-10-14-31(35)38-27/h5-11,13-20,29,37,40H,12H2,1-4H3/b26-19-,27-20-,35-30-,36-32+
InChIKeyLPTWEXMOEHVLOI-AXFAYLPNSA-N
XLogP5.80
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin?
The IUPAC name of (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin (CID 89086428) is (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin.
What is the SMILES notation for (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin?
The canonical SMILES for (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin is Cc1ccc(/C2=c3\cc/c([nH]3)=C/C3=N/C(=C(/c4c(C)cc(C)cc4C)C4=CCC(/C=C5/C=CC2=N5)N4)C=C3)cc1.
What is the InChIKey of (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin?
The InChIKey is LPTWEXMOEHVLOI-AXFAYLPNSA-N. The full InChI is InChI=1S/C36H32N4/c1-21-5-7-25(8-6-21)35-30-13-9-26(37-30)19-28-11-15-32(39-28)36(34-23(3)17-22(2)18-24(34)4)33-16-12-29(40-33)20-27-10-14-31(35)38-27/h5-11,13-20,29,37,40H,12H2,1-4H3/b26-19-,27-20-,35-30-,36-32+.
What are the key properties of (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin?
(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin has a molecular weight of 520.68 g/mol, XLogP of 5.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin is sourced from PubChem (CID 89086428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).