cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline

C38H29CoN5 — CID 175161572

IUPACcobalt;21,22-dihydroporphyrin;N,N-diphenylaniline
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14N4.C18H15N.Co/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,21-22H;1-15H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyBVAVRIQKFHKSQM-IAULSPAKSA-N
MW614.62 g/mol
LogP9.81
Rot. Bonds3

About cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline

cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline (PubChem CID 175161572) has the molecular formula C38H29CoN5 and a molecular weight of 614.62 g/mol. Its IUPAC name is cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline.

Molecular Properties

Compound Namecobalt;21,22-dihydroporphyrin;N,N-diphenylaniline
PubChem CID175161572
Molecular FormulaC38H29CoN5
Molecular Weight614.62 g/mol
Exact Mass614.18
IUPAC Namecobalt;21,22-dihydroporphyrin;N,N-diphenylaniline
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H14N4.C18H15N.Co/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,21-22H;1-15H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyBVAVRIQKFHKSQM-IAULSPAKSA-N
XLogP9.81
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.62
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949
CID 175757831
CID 175757831
21,22-dihydroporphyrin;phenol
CID 162242849
21,22-dihydroporphyrin;methanone;ruthenium(1+)
CID 175593916
21,22-dihydroporphyrin;stilbene
CID 159218898
azane;21,22-dihydroporphyrin;zinc
CID 175189190
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
cobalt;21,22-dihydroporphyrin;ethanol
CID 174944613
cobalt;21,22-dihydroporphyrin;1,3,5-triazine
CID 175225634
21,22-dihydroporphyrin;9,9-dioctylfluorene;N,N-diphenylaniline
CID 174688506
cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine
CID 174888038
21,23-dihydroporphyrin;trihydrochloride
CID 172691359

Frequently Asked Questions

What is the IUPAC name of cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline?
The IUPAC name of cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline (CID 175161572) is cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline.
What is the SMILES notation for cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline?
The canonical SMILES for cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline?
The InChIKey is BVAVRIQKFHKSQM-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.C18H15N.Co/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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-12,21-22H;1-15H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;.
What are the key properties of cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline?
cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline has a molecular weight of 614.62 g/mol, XLogP of 9.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;21,22-dihydroporphyrin;N,N-diphenylaniline is sourced from PubChem (CID 175161572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).