2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin

C29H26N4 — CID 91454171

IUPAC2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3cc(C)c([nH]3)=Cc3ccc([nH]3)C=c3cc(C)c([nH]3)=Cc3ccc2[nH]3)cc1
InChIInChI=1S/C29H26N4/c1-17-4-6-20(7-5-17)29-25-11-10-23(31-25)16-26-18(2)12-24(32-26)14-21-8-9-22(30-21)15-27-19(3)13-28(29)33-27/h4-16,30-33H,1-3H3
InChIKeyDUYACRBGTYPNFC-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.97
Rot. Bonds1

About 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin

2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91454171) has the molecular formula C29H26N4 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91454171
Molecular FormulaC29H26N4
Molecular Weight430.56 g/mol
Exact Mass430.22
IUPAC Name2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3cc(C)c([nH]3)=Cc3ccc([nH]3)C=c3cc(C)c([nH]3)=Cc3ccc2[nH]3)cc1
InChIInChI=1S/C29H26N4/c1-17-4-6-20(7-5-17)29-25-11-10-23(31-25)16-26-18(2)12-24(32-26)14-21-8-9-22(30-21)15-27-19(3)13-28(29)33-27/h4-16,30-33H,1-3H3
InChIKeyDUYACRBGTYPNFC-UHFFFAOYSA-N
XLogP2.97
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin 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

5,10,15-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 91607020
4-[15-(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzaldehyde
CID 91151416
15-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-2,3,21,22,23,24-hexahydroporphyrin-2,3-diol
CID 91124119
2,17-dimethyl-21,22,23,24-tetrahydro-2H-corrin
CID 123790072
5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
CID 54545974
tert-butyl N-[4-[10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]carbamate
CID 90687233
2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 57249798
5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206
3,3-dimethyl-10-(4-methylphenyl)-20-phenyl-15-(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-2-one
CID 91332734
(1Z,14Z,17Z)-16-methyl-2,12-diphenyl-21,22,23-triazatetracyclo[16.2.1.13,6.18,11]tricosa-1,3,5,7,9,11,14,17,19-nonaen-13-imine
CID 163986385
4-[3-[15-[3-[4-(dimethylamino)phenyl]sulfanylphenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]sulfanyl-N,N-dimethylaniline
CID 91078033
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065

Frequently Asked Questions

What is the IUPAC name of 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 91454171) is 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin is Cc1ccc(C2=c3cc(C)c([nH]3)=Cc3ccc([nH]3)C=c3cc(C)c([nH]3)=Cc3ccc2[nH]3)cc1.
What is the InChIKey of 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is DUYACRBGTYPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4/c1-17-4-6-20(7-5-17)29-25-11-10-23(31-25)16-26-18(2)12-24(32-26)14-21-8-9-22(30-21)15-27-19(3)13-28(29)33-27/h4-16,30-33H,1-3H3.
What are the key properties of 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 430.56 g/mol, XLogP of 2.97, 1 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91454171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).