chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone

C45H30CoCrN4O — CID 175408706

IUPACchromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone
SMILESO=C=C1Cc2cc3ccc(cc4nc(cc5c(-c6ccccc6)c(-c6ccccc6)c(c(-c6ccccc6)c1n2)n5-c1ccccc1)C=C4)[nH]3.[Co].[Cr]
InChIInChI=1S/C45H30N4O.Co.Cr/c50-29-33-25-38-27-36-22-21-34(46-36)26-35-23-24-37(47-35)28-40-41(30-13-5-1-6-14-30)42(31-15-7-2-8-16-31)45(49(40)39-19-11-4-12-20-39)43(44(33)48-38)32-17-9-3-10-18-32;;/h1-24,26-28,46H,25H2;;/b34-26-,35-26-,36-27-,37-28-,38-27-,40-28-,44-43-,45-43-;;
InChIKeyLUZRAWJVMJDVNK-JIHSXSDMSA-N
MW753.69 g/mol
LogP10.40
Rot. Bonds4

About chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone

chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone (PubChem CID 175408706) has the molecular formula C45H30CoCrN4O and a molecular weight of 753.69 g/mol. Its IUPAC name is chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone.

Molecular Properties

Compound Namechromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone
PubChem CID175408706
Molecular FormulaC45H30CoCrN4O
Molecular Weight753.69 g/mol
Exact Mass753.12
IUPAC Namechromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone
SMILESO=C=C1Cc2cc3ccc(cc4nc(cc5c(-c6ccccc6)c(-c6ccccc6)c(c(-c6ccccc6)c1n2)n5-c1ccccc1)C=C4)[nH]3.[Co].[Cr]
InChIInChI=1S/C45H30N4O.Co.Cr/c50-29-33-25-38-27-36-22-21-34(46-36)26-35-23-24-37(47-35)28-40-41(30-13-5-1-6-14-30)42(31-15-7-2-8-16-31)45(49(40)39-19-11-4-12-20-39)43(44(33)48-38)32-17-9-3-10-18-32;;/h1-24,26-28,46H,25H2;;/b34-26-,35-26-,36-27-,37-28-,38-27-,40-28-,44-43-,45-43-;;
InChIKeyLUZRAWJVMJDVNK-JIHSXSDMSA-N
XLogP10.40
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.69
LogP ≤ 510.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone?
The IUPAC name of chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone (CID 175408706) is chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone.
What is the SMILES notation for chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone?
The canonical SMILES for chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone is O=C=C1Cc2cc3ccc(cc4nc(cc5c(-c6ccccc6)c(-c6ccccc6)c(c(-c6ccccc6)c1n2)n5-c1ccccc1)C=C4)[nH]3.[Co].[Cr].
What is the InChIKey of chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone?
The InChIKey is LUZRAWJVMJDVNK-JIHSXSDMSA-N. The full InChI is InChI=1S/C45H30N4O.Co.Cr/c50-29-33-25-38-27-36-22-21-34(46-36)26-35-23-24-37(47-35)28-40-41(30-13-5-1-6-14-30)42(31-15-7-2-8-16-31)45(49(40)39-19-11-4-12-20-39)43(44(33)48-38)32-17-9-3-10-18-32;;/h1-24,26-28,46H,25H2;;/b34-26-,35-26-,36-27-,37-28-,38-27-,40-28-,44-43-,45-43-;;.
What are the key properties of chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone?
chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone has a molecular weight of 753.69 g/mol, XLogP of 10.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;cobalt;(17,18,20,24-tetraphenyl-3,22-dihydroporphyrin-2-ylidene)methanone is sourced from PubChem (CID 175408706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).