CID 170997510

C44H28CoN4-2 — CID 170997510

IUPAC—
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Co]
InChIInChI=1S/C44H28N4.Co/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;/h1-28H;/q-2;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyJWVXCWWKMGBCNQ-DAJBKUBHSA-N
MW671.67 g/mol
LogP10.58
Rot. Bonds4

About CID 170997510

CID 170997510 (PubChem CID 170997510) has the molecular formula C44H28CoN4-2 and a molecular weight of 671.67 g/mol.

Molecular Properties

Compound NameCID 170997510
PubChem CID170997510
Molecular FormulaC44H28CoN4-2
Molecular Weight671.67 g/mol
Exact Mass671.17
IUPAC Name—
SMILESC1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Co]
InChIInChI=1S/C44H28N4.Co/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;/h1-28H;/q-2;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyJWVXCWWKMGBCNQ-DAJBKUBHSA-N
XLogP10.58
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.67
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
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manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 636232
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
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dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
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dicopper;6,11,16,25,30,35-hexakis-phenyl-40,41,44,45-tetraza-39,42,43,46-tetrazanidanonacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34]hexatetraconta-1,3,5,7(45),8,10,12(44),13,15,17,19,21,23,25,27,29(41),30,32,34(40),35,37-henicosaene
CID 140772135
nickel(3+);bis(pyridine);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 165365898
bis(acetonitrile);nickel(3+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 146014610
cobalt(3+);prop-1-en-2-olate;5,10,15,20-tetraphenylporphyrin-22,24-diide
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ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
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Frequently Asked Questions

What is the IUPAC name of CID 170997510?
The IUPAC name of CID 170997510 (CID 170997510) is not available.
What is the SMILES notation for CID 170997510?
The canonical SMILES for CID 170997510 is C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Co].
What is the InChIKey of CID 170997510?
The InChIKey is JWVXCWWKMGBCNQ-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H28N4.Co/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;/h1-28H;/q-2;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.
What are the key properties of CID 170997510?
CID 170997510 has a molecular weight of 671.67 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170997510 is sourced from PubChem (CID 170997510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).