5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin

C41H34N4 — CID 54563793

IUPAC5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C41H34N4/c1-25-4-10-28(11-5-25)39-33-18-16-31(42-33)24-32-17-19-34(43-32)40(29-12-6-26(2)7-13-29)36-21-23-38(45-36)41(37-22-20-35(39)44-37)30-14-8-27(3)9-15-30/h4-24,42-45H,1-3H3
InChIKeyLFUHAFCUQQTIOM-UHFFFAOYSA-N
MW582.75 g/mol
LogP5.81
Rot. Bonds3

About 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 54563793) has the molecular formula C41H34N4 and a molecular weight of 582.75 g/mol. Its IUPAC name is 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID54563793
Molecular FormulaC41H34N4
Molecular Weight582.75 g/mol
Exact Mass582.28
IUPAC Name5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C41H34N4/c1-25-4-10-28(11-5-25)39-33-18-16-31(42-33)24-32-17-19-34(43-32)40(29-12-6-26(2)7-13-29)36-21-23-38(45-36)41(37-22-20-35(39)44-37)30-14-8-27(3)9-15-30/h4-24,42-45H,1-3H3
InChIKeyLFUHAFCUQQTIOM-UHFFFAOYSA-N
XLogP5.81
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 55.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-Diphenyl-1H-pyrrole
CID 244877
1H-Pyrrole, 2,3,4,5-tetraphenyl-
CID 76753
5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
21,22,23,24-Tetraazapentacyclo(16.2.1.1(2,5).1(8,11).1(12,15))tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, 4,9,14,19-tetrapropyl-
CID 130573
(3E)-2-phenyl-3-[(2-phenyl-1H-indol-3-yl)methylidene]indole
CID 5762378
1,3-dip-tolyl-4,5,6,7-tetrahydro-2H-isoindole
CID 10756729
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
Ttmapp
CID 135433388
Benzenecarboximidamide, 4,4'-(1H-pyrrole-2,5-diyl)bis-
CID 3000768
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
3,3',3''-Methylidynetris(2-methylindole)
CID 253631

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 54563793) is 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin is Cc1ccc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is LFUHAFCUQQTIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N4/c1-25-4-10-28(11-5-25)39-33-18-16-31(42-33)24-32-17-19-34(43-32)40(29-12-6-26(2)7-13-29)36-21-23-38(45-36)41(37-22-20-35(39)44-37)30-14-8-27(3)9-15-30/h4-24,42-45H,1-3H3.
What are the key properties of 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 582.75 g/mol, XLogP of 5.81, 3 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54563793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).