CID 164734181

C44H26N4OPt-2 — CID 164734181

IUPAC—
SMILES[Pt]=c1n(-c2ccccc2)cc2n1-c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C44H26N4O.Pt/c1-2-12-30(13-3-1)46-28-43-36-17-7-6-15-34(36)33-14-4-5-16-35(33)38-23-21-31(26-41(38)47(43)29-46)49-32-22-24-39-37-18-8-9-19-40(37)48(42(39)27-32)44-20-10-11-25-45-44;/h1-25,28H;/q-2;
InChIKeyZNAPDERAEIQGIQ-UHFFFAOYSA-N
MW821.80 g/mol
LogP10.55
Rot. Bonds4

About CID 164734181

CID 164734181 (PubChem CID 164734181) has the molecular formula C44H26N4OPt-2 and a molecular weight of 821.80 g/mol.

Molecular Properties

Compound NameCID 164734181
PubChem CID164734181
Molecular FormulaC44H26N4OPt-2
Molecular Weight821.80 g/mol
Exact Mass821.18
IUPAC Name—
SMILES[Pt]=c1n(-c2ccccc2)cc2n1-c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C44H26N4O.Pt/c1-2-12-30(13-3-1)46-28-43-36-17-7-6-15-34(36)33-14-4-5-16-35(33)38-23-21-31(26-41(38)47(43)29-46)49-32-22-24-39-37-18-8-9-19-40(37)48(42(39)27-32)44-20-10-11-25-45-44;/h1-25,28H;/q-2;
InChIKeyZNAPDERAEIQGIQ-UHFFFAOYSA-N
XLogP10.55
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.80
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 164734292
CID 164734292
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
CID 162487067
CID 162487067
CID 155616746
CID 155616746
2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164761033
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 171610714
CID 154610877
CID 154610877
2-[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421938
CID 170672584
CID 170672584
2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzoxazaborinine-1,9-diide;platinum
CID 155616560
2-[2,6-bis(3,5-diphenylphenyl)phenyl]-5-methyl-4-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;2,5-dimethyl-4-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;2-(2,6-diphenylphenyl)-5-methyl-4-phenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;5-methyl-2,4-diphenyl-8-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,9-dihydroimidazo[5,1-c][1,4,2]benzodiazaborinine-1,9-diide;platinum
CID 159899918
2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155635947

Frequently Asked Questions

What is the IUPAC name of CID 164734181?
The IUPAC name of CID 164734181 (CID 164734181) is not available.
What is the SMILES notation for CID 164734181?
The canonical SMILES for CID 164734181 is [Pt]=c1n(-c2ccccc2)cc2n1-c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc1-c1ccccc1-c1ccccc1-2.
What is the InChIKey of CID 164734181?
The InChIKey is ZNAPDERAEIQGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O.Pt/c1-2-12-30(13-3-1)46-28-43-36-17-7-6-15-34(36)33-14-4-5-16-35(33)38-23-21-31(26-41(38)47(43)29-46)49-32-22-24-39-37-18-8-9-19-40(37)48(42(39)27-32)44-20-10-11-25-45-44;/h1-25,28H;/q-2;.
What are the key properties of CID 164734181?
CID 164734181 has a molecular weight of 821.80 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164734181 is sourced from PubChem (CID 164734181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).