5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin

C48H40N4 — CID 54303154

IUPAC5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C48H40N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28,49-52H,1-4H3
InChIKeyDCFHGLHWOBMGQK-UHFFFAOYSA-N
MW672.88 g/mol
LogP7.54
Rot. Bonds4

About 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 54303154) has the molecular formula C48H40N4 and a molecular weight of 672.88 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID54303154
Molecular FormulaC48H40N4
Molecular Weight672.88 g/mol
Exact Mass672.33
IUPAC Name5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C48H40N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28,49-52H,1-4H3
InChIKeyDCFHGLHWOBMGQK-UHFFFAOYSA-N
XLogP7.54
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.88
LogP ≤ 57.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 54303154) is 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin is Cc1ccc(C2=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(C)cc3)=c3ccc([nH]3)=C(c3ccc(C)cc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is DCFHGLHWOBMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N4/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35/h5-28,49-52H,1-4H3.
What are the key properties of 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 672.88 g/mol, XLogP of 7.54, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 54303154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).