2-(2,3,4,5-tetramethylphenyl)porphyrin

C30H24N4 — CID 87989941

IUPAC2-(2,3,4,5-tetramethylphenyl)porphyrin
SMILESCc1cc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(C)c(C)c1C
InChIInChI=1S/C30H24N4/c1-17-11-28(20(4)19(3)18(17)2)29-15-27-14-25-8-7-23(32-25)12-21-5-6-22(31-21)13-24-9-10-26(33-24)16-30(29)34-27/h5-16H,1-4H3/b21-12-,22-13-,23-12-,24-13-,25-14-,26-16-,27-14-,30-16-
InChIKeyCPKFQARNPUDBBP-BAIYJMLFSA-N
MW440.55 g/mol
LogP6.34
Rot. Bonds1

About 2-(2,3,4,5-tetramethylphenyl)porphyrin

2-(2,3,4,5-tetramethylphenyl)porphyrin (PubChem CID 87989941) has the molecular formula C30H24N4 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylphenyl)porphyrin.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylphenyl)porphyrin
PubChem CID87989941
Molecular FormulaC30H24N4
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name2-(2,3,4,5-tetramethylphenyl)porphyrin
SMILESCc1cc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(C)c(C)c1C
InChIInChI=1S/C30H24N4/c1-17-11-28(20(4)19(3)18(17)2)29-15-27-14-25-8-7-23(32-25)12-21-5-6-22(31-21)13-24-9-10-26(33-24)16-30(29)34-27/h5-16H,1-4H3/b21-12-,22-13-,23-12-,24-13-,25-14-,26-16-,27-14-,30-16-
InChIKeyCPKFQARNPUDBBP-BAIYJMLFSA-N
XLogP6.34
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,5-tetramethylphenyl)porphyrin 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 2-(2,3,4,5-tetramethylphenyl)porphyrin?
The IUPAC name of 2-(2,3,4,5-tetramethylphenyl)porphyrin (CID 87989941) is 2-(2,3,4,5-tetramethylphenyl)porphyrin.
What is the SMILES notation for 2-(2,3,4,5-tetramethylphenyl)porphyrin?
The canonical SMILES for 2-(2,3,4,5-tetramethylphenyl)porphyrin is Cc1cc(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(C)c(C)c1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylphenyl)porphyrin?
The InChIKey is CPKFQARNPUDBBP-BAIYJMLFSA-N. The full InChI is InChI=1S/C30H24N4/c1-17-11-28(20(4)19(3)18(17)2)29-15-27-14-25-8-7-23(32-25)12-21-5-6-22(31-21)13-24-9-10-26(33-24)16-30(29)34-27/h5-16H,1-4H3/b21-12-,22-13-,23-12-,24-13-,25-14-,26-16-,27-14-,30-16-.
What are the key properties of 2-(2,3,4,5-tetramethylphenyl)porphyrin?
2-(2,3,4,5-tetramethylphenyl)porphyrin has a molecular weight of 440.55 g/mol, XLogP of 6.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylphenyl)porphyrin is sourced from PubChem (CID 87989941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).