3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)

C44H28N4OV — CID 137217001

IUPAC3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)
SMILESO=[V+2].[c-]1ccc(C2=Cc3cc4ccc(cc5nc(cc6[nH]c(c(-c7ccccc7)c2n3)c(-c2ccccc2)c6-c2cc[c-]cc2)C=C5)[nH]4)cc1
InChIInChI=1S/C44H28N4.O.V/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;/h3-28,45,48H;;/q-2;;+2/b33-25-,34-25-,35-26-,36-28-,37-26-,39-28+,43-42-,44-42+;;
InChIKeyMTANPAALBCUOIK-OUVNUWQXSA-N
MW679.68 g/mol
LogP10.55
Rot. Bonds4

About 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)

3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+) (PubChem CID 137217001) has the molecular formula C44H28N4OV and a molecular weight of 679.68 g/mol. Its IUPAC name is 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+).

Molecular Properties

Compound Name3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)
PubChem CID137217001
Molecular FormulaC44H28N4OV
Molecular Weight679.68 g/mol
Exact Mass679.17
IUPAC Name3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)
SMILESO=[V+2].[c-]1ccc(C2=Cc3cc4ccc(cc5nc(cc6[nH]c(c(-c7ccccc7)c2n3)c(-c2ccccc2)c6-c2cc[c-]cc2)C=C5)[nH]4)cc1
InChIInChI=1S/C44H28N4.O.V/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;/h3-28,45,48H;;/q-2;;+2/b33-25-,34-25-,35-26-,36-28-,37-26-,39-28+,43-42-,44-42+;;
InChIKeyMTANPAALBCUOIK-OUVNUWQXSA-N
XLogP10.55
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.68
LogP ≤ 510.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

gallane;2,3,5,7-tetraphenyl-21,23-dihydroporphyrin
CID 173010365
5,7-diphenyl-2,3-dipyridin-2-yl-21,23-dihydroporphyrin
CID 136619214
(3,5,7,8-tetraphenyl-22,24-dihydroporphyrin-2-yl) hydrogen sulfite
CID 137225556
manganese;13-phenyl-21,22-dihydroporphyrin
CID 161047080
1-(3,5,7,21-tetraphenyl-23H-porphyrin-2-yl)ethanone
CID 137225760
8-(4-bromophenyl)-10,12,13,23-tetraphenyl-21H-porphyrin
CID 175252389
(3,5,7,21-tetraphenyl-23H-porphyrin-2-yl) prop-2-enoate
CID 154636881
benzene;21,22-dihydroporphyrin;platinum(4+)
CID 174947967
7-(4-chlorophenyl)-21,23-dihydroporphyrin;vanadium
CID 175047395
argon;2-phenyl-21,22-dihydroporphyrin
CID 174855611
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949
8-bromo-10,12,13,23-tetraphenyl-21H-porphyrin
CID 174692197

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)?
The IUPAC name of 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+) (CID 137217001) is 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+).
What is the SMILES notation for 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)?
The canonical SMILES for 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+) is O=[V+2].[c-]1ccc(C2=Cc3cc4ccc(cc5nc(cc6[nH]c(c(-c7ccccc7)c2n3)c(-c2ccccc2)c6-c2cc[c-]cc2)C=C5)[nH]4)cc1.
What is the InChIKey of 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)?
The InChIKey is MTANPAALBCUOIK-OUVNUWQXSA-N. The full InChI is InChI=1S/C44H28N4.O.V/c1-5-13-29(14-6-1)38-27-37-26-35-22-21-33(45-35)25-34-23-24-36(46-34)28-39-40(30-15-7-2-8-16-30)41(31-17-9-3-10-18-31)44(48-39)42(43(38)47-37)32-19-11-4-12-20-32;;/h3-28,45,48H;;/q-2;;+2/b33-25-,34-25-,35-26-,36-28-,37-26-,39-28+,43-42-,44-42+;;.
What are the key properties of 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+)?
3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+) has a molecular weight of 679.68 g/mol, XLogP of 10.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2,7-di(phenyl)-21,23-dihydroporphyrin;oxovanadium(2+) is sourced from PubChem (CID 137217001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).