CID 155616457

C33H21BN6OPt — CID 155616457

IUPAC—
SMILESCN1B2N(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3-c3nccn32)c2ccccc21.[Pt+2]
InChIInChI=1S/C33H21BN6O.Pt/c1-37-29-10-4-5-11-30(29)40-28-16-14-22(20-26(28)33-36-18-19-38(33)34(37)40)41-23-13-15-25-24-8-2-3-9-27(24)39(31(25)21-23)32-12-6-7-17-35-32;/h2-19H,1H3;/q-2;+2
InChIKeyPJLIDCVSXXQKSK-UHFFFAOYSA-N
MW723.46 g/mol
LogP6.87
Rot. Bonds3

About CID 155616457

CID 155616457 (PubChem CID 155616457) has the molecular formula C33H21BN6OPt and a molecular weight of 723.46 g/mol.

Molecular Properties

Compound NameCID 155616457
PubChem CID155616457
Molecular FormulaC33H21BN6OPt
Molecular Weight723.46 g/mol
Exact Mass723.15
IUPAC Name—
SMILESCN1B2N(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3-c3nccn32)c2ccccc21.[Pt+2]
InChIInChI=1S/C33H21BN6O.Pt/c1-37-29-10-4-5-11-30(29)40-28-16-14-22(20-26(28)33-36-18-19-38(33)34(37)40)41-23-13-15-25-24-8-2-3-9-27(24)39(31(25)21-23)32-12-6-7-17-35-32;/h2-19H,1H3;/q-2;+2
InChIKeyPJLIDCVSXXQKSK-UHFFFAOYSA-N
XLogP6.87
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.46
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 155616281
CID 155616281
CID 166589295
CID 166589295
5-(2,6-dimethylphenyl)-9-[[9-(4,5-dimethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-methyl-10H-imidazo[1,2-c][1,3,2]benzodiazaborinin-10-ide;platinum(2+)
CID 155616069
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867
2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 168798816
2-[3-(3-methylbenzotriazol-2-id-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164801839
2-[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 169021355
2-[3-(5,6-dimethylindazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155606560
2-[3-(3,5-dimethyl-2H-benzimidazol-2-id-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 155606575
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
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411656

Frequently Asked Questions

What is the IUPAC name of CID 155616457?
The IUPAC name of CID 155616457 (CID 155616457) is not available.
What is the SMILES notation for CID 155616457?
The canonical SMILES for CID 155616457 is CN1B2N(c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3-c3nccn32)c2ccccc21.[Pt+2].
What is the InChIKey of CID 155616457?
The InChIKey is PJLIDCVSXXQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BN6O.Pt/c1-37-29-10-4-5-11-30(29)40-28-16-14-22(20-26(28)33-36-18-19-38(33)34(37)40)41-23-13-15-25-24-8-2-3-9-27(24)39(31(25)21-23)32-12-6-7-17-35-32;/h2-19H,1H3;/q-2;+2.
What are the key properties of CID 155616457?
CID 155616457 has a molecular weight of 723.46 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155616457 is sourced from PubChem (CID 155616457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).