5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc

C44H30N4Zn — CID 135484857

IUPAC5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Zn]
InChIInChI=1S/C44H30N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyGTZCNONABJSHNM-DAJBKUBHSA-N
MW680.14 g/mol
LogP11.32
Rot. Bonds4

About 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc

5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc (PubChem CID 135484857) has the molecular formula C44H30N4Zn and a molecular weight of 680.14 g/mol. Its IUPAC name is 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc.

Molecular Properties

Compound Name5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc
PubChem CID135484857
Molecular FormulaC44H30N4Zn
Molecular Weight680.14 g/mol
Exact Mass678.18
IUPAC Name5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Zn]
InChIInChI=1S/C44H30N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyGTZCNONABJSHNM-DAJBKUBHSA-N
XLogP11.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.14
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc?
The IUPAC name of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc (CID 135484857) is 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc.
What is the SMILES notation for 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc?
The canonical SMILES for 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc is C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.[Zn].
What is the InChIKey of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc?
The InChIKey is GTZCNONABJSHNM-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H30N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28,45,48H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.
What are the key properties of 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc?
5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc has a molecular weight of 680.14 g/mol, XLogP of 11.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetraphenyl-21,23-dihydroporphyrin;zinc is sourced from PubChem (CID 135484857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).