benzene;21,22-dihydroporphyrin;platinum(4+)

C44H34N4Pt — CID 174947967

IUPACbenzene;21,22-dihydroporphyrin;platinum(4+)
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Pt+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C20H14N4.4C6H5.Pt/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;4*1-2-4-6-5-3-1;/h1-12,21-22H;4*1-5H;/q;4*-1;+4/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;
InChIKeyWRLWVOHUQQSWFH-UCQNTEORSA-N
MW813.86 g/mol
LogP10.60
Rot. Bonds

About benzene;21,22-dihydroporphyrin;platinum(4+)

benzene;21,22-dihydroporphyrin;platinum(4+) (PubChem CID 174947967) has the molecular formula C44H34N4Pt and a molecular weight of 813.86 g/mol. Its IUPAC name is benzene;21,22-dihydroporphyrin;platinum(4+).

Molecular Properties

Compound Namebenzene;21,22-dihydroporphyrin;platinum(4+)
PubChem CID174947967
Molecular FormulaC44H34N4Pt
Molecular Weight813.86 g/mol
Exact Mass813.24
IUPAC Namebenzene;21,22-dihydroporphyrin;platinum(4+)
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Pt+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C20H14N4.4C6H5.Pt/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;4*1-2-4-6-5-3-1;/h1-12,21-22H;4*1-5H;/q;4*-1;+4/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;
InChIKeyWRLWVOHUQQSWFH-UCQNTEORSA-N
XLogP10.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.86
LogP ≤ 510.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;21,22-dihydroporphyrin;platinum(4+)?
The IUPAC name of benzene;21,22-dihydroporphyrin;platinum(4+) (CID 174947967) is benzene;21,22-dihydroporphyrin;platinum(4+).
What is the SMILES notation for benzene;21,22-dihydroporphyrin;platinum(4+)?
The canonical SMILES for benzene;21,22-dihydroporphyrin;platinum(4+) is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Pt+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;21,22-dihydroporphyrin;platinum(4+)?
The InChIKey is WRLWVOHUQQSWFH-UCQNTEORSA-N. The full InChI is InChI=1S/C20H14N4.4C6H5.Pt/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;4*1-2-4-6-5-3-1;/h1-12,21-22H;4*1-5H;/q;4*-1;+4/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;;;.
What are the key properties of benzene;21,22-dihydroporphyrin;platinum(4+)?
benzene;21,22-dihydroporphyrin;platinum(4+) has a molecular weight of 813.86 g/mol, XLogP of 10.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;21,22-dihydroporphyrin;platinum(4+) is sourced from PubChem (CID 174947967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).