(5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin

C27H22N4 — CID 141497519

IUPAC(5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin
SMILESCc1ccc(C23/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C4=N/C(=C\C(=CC2)N3)C=C4)cc1
InChIInChI=1S/C27H22N4/c1-18-2-4-19(5-3-18)27-13-12-25(31-27)16-24-9-8-21(29-24)14-20-6-7-22(28-20)15-23-10-11-26(17-27)30-23/h2-12,14-17,28,31H,13H2,1H3/b20-14-,22-15-,24-16-,26-17-
InChIKeyNQKQEOBDZNQKJA-ATDWWFRUSA-N
MW402.50 g/mol
LogP3.46
Rot. Bonds1

About (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin

(5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin (PubChem CID 141497519) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin.

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin
PubChem CID141497519
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name(5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin
SMILESCc1ccc(C23/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C4=N/C(=C\C(=CC2)N3)C=C4)cc1
InChIInChI=1S/C27H22N4/c1-18-2-4-19(5-3-18)27-13-12-25(31-27)16-24-9-8-21(29-24)14-20-6-7-22(28-20)15-23-10-11-26(17-27)30-23/h2-12,14-17,28,31H,13H2,1H3/b20-14-,22-15-,24-16-,26-17-
InChIKeyNQKQEOBDZNQKJA-ATDWWFRUSA-N
XLogP3.46
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-N-benzyl-7-(tert-butylimino)cyclohepta-1,3,5-trienamine
CID 767431
(4-Phenyl)porphyrin
CID 129827519
1,2,3,4,5,6,7,8-octaethyl-9,11-bis[4-(trifluoromethyl)phenyl]-10,21,22,24-tetrahydro-5H-porphyrin
CID 152744726
(19Z)-1-[[4-(2-bromo-2-fluoroethenyl)phenyl]methyl]-21,23-dihydro-2H-porphyrin
CID 177709109
1,3-Diphenylporphyrin
CID 138374123
2-[2-[4-(2-aminopropan-2-yl)phenyl]ethyl]-8-methyl-1H-benzo[i][1,7]naphthyridin-5-amine
CID 67457871
2-(1-Phenylethyl)porphyrin
CID 67710319
[4-(2,8,13,17-Tetraethyl-3,7,12,18-tetramethylporphyrin-5-yl)phenyl]methanamine
CID 68871407
2-(4-Methylphenyl)porphyrin
CID 69402981
2-(2,4,6-Trimethylphenyl)porphyrin
CID 69771202
1,5,15,20-tetraphenyl-21,23-dihydro-2H-porphyrin
CID 69857949
(10Z,14Z,19Z)-2,4,6,8-tetramethyl-1,3,5,7-tetraphenyl-21,23-dihydro-5H-porphyrin
CID 70398303

Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin?
The IUPAC name of (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin (CID 141497519) is (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin.
What is the SMILES notation for (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin?
The canonical SMILES for (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin is Cc1ccc(C23/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C4=N/C(=C\C(=CC2)N3)C=C4)cc1.
What is the InChIKey of (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin?
The InChIKey is NQKQEOBDZNQKJA-ATDWWFRUSA-N. The full InChI is InChI=1S/C27H22N4/c1-18-2-4-19(5-3-18)27-13-12-25(31-27)16-24-9-8-21(29-24)14-20-6-7-22(28-20)15-23-10-11-26(17-27)30-23/h2-12,14-17,28,31H,13H2,1H3/b20-14-,22-15-,24-16-,26-17-.
What are the key properties of (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin?
(5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin has a molecular weight of 402.50 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,14Z,19Z)-1-(4-methylphenyl)-21,23-dihydro-2H-porphyrin is sourced from PubChem (CID 141497519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).