CID 155616746

C48H29N4O2Pt-3 — CID 155616746

IUPAC—
SMILES[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)O2
InChIInChI=1S/C48H29N4O2.Pt/c1-3-13-32(14-4-1)36-18-11-19-37(33-15-5-2-6-16-33)47(36)50-31-51-43-30-35(25-27-44(43)54-45-22-12-21-41(50)48(45)51)53-34-24-26-39-38-17-7-8-20-40(38)52(42(39)29-34)46-23-9-10-28-49-46;/h1-28,31H;/q-3;
InChIKeyMHTAYWYZESTYOM-UHFFFAOYSA-N
MW888.86 g/mol
LogP12.42
Rot. Bonds6

About CID 155616746

CID 155616746 (PubChem CID 155616746) has the molecular formula C48H29N4O2Pt-3 and a molecular weight of 888.86 g/mol.

Molecular Properties

Compound NameCID 155616746
PubChem CID155616746
Molecular FormulaC48H29N4O2Pt-3
Molecular Weight888.86 g/mol
Exact Mass888.20
IUPAC Name—
SMILES[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)O2
InChIInChI=1S/C48H29N4O2.Pt/c1-3-13-32(14-4-1)36-18-11-19-37(33-15-5-2-6-16-33)47(36)50-31-51-43-30-35(25-27-44(43)54-45-22-12-21-41(50)48(45)51)53-34-24-26-39-38-17-7-8-20-40(38)52(42(39)29-34)46-23-9-10-28-49-46;/h1-28,31H;/q-3;
InChIKeyMHTAYWYZESTYOM-UHFFFAOYSA-N
XLogP12.42
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.86
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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 155616486
CID 155616486
CID 155616539
CID 155616539
CID 159650736
CID 159650736
2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177082962
CID 155616712
CID 155616712
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-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155652749
1-(2,6-dipyridin-2-ylphenyl)-3-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
CID 164731596
2-[3-[3-(2-tert-butyl-6-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 153490740
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-5-(4-phenylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 172531232
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

Frequently Asked Questions

What is the IUPAC name of CID 155616746?
The IUPAC name of CID 155616746 (CID 155616746) is not available.
What is the SMILES notation for CID 155616746?
The canonical SMILES for CID 155616746 is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)O2.
What is the InChIKey of CID 155616746?
The InChIKey is MHTAYWYZESTYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N4O2.Pt/c1-3-13-32(14-4-1)36-18-11-19-37(33-15-5-2-6-16-33)47(36)50-31-51-43-30-35(25-27-44(43)54-45-22-12-21-41(50)48(45)51)53-34-24-26-39-38-17-7-8-20-40(38)52(42(39)29-34)46-23-9-10-28-49-46;/h1-28,31H;/q-3;.
What are the key properties of CID 155616746?
CID 155616746 has a molecular weight of 888.86 g/mol, XLogP of 12.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155616746 is sourced from PubChem (CID 155616746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).