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+)

C37H30BN5OPt — CID 155616069

IUPAC5-(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+)
SMILESCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2]
InChIInChI=1S/C37H30BN5O.Pt/c1-23-9-8-10-24(2)36(23)38-41(5)32-16-14-27(20-31(32)37-39-17-18-42(37)38)44-28-13-15-30-29-11-6-7-12-33(29)43(34(30)21-28)35-19-25(3)26(4)22-40-35;/h6-19,22H,1-5H3;/q-2;+2
InChIKeyLQFOXJNAVMKTCE-UHFFFAOYSA-N
MW766.57 g/mol
LogP7.36
Rot. Bonds4

About 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+)

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+) (PubChem CID 155616069) has the molecular formula C37H30BN5OPt and a molecular weight of 766.57 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name5-(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+)
PubChem CID155616069
Molecular FormulaC37H30BN5OPt
Molecular Weight766.57 g/mol
Exact Mass766.22
IUPAC Name5-(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+)
SMILESCc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2]
InChIInChI=1S/C37H30BN5O.Pt/c1-23-9-8-10-24(2)36(23)38-41(5)32-16-14-27(20-31(32)37-39-17-18-42(37)38)44-28-13-15-30-29-11-6-7-12-33(29)43(34(30)21-28)35-19-25(3)26(4)22-40-35;/h6-19,22H,1-5H3;/q-2;+2
InChIKeyLQFOXJNAVMKTCE-UHFFFAOYSA-N
XLogP7.36
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.57
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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CID 164737867
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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
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CID 169288942
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CID 154610827
9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)
CID 171769127
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
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Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1cnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)N(C)B(c4c(C)cccc4C)n4ccnc4-5)ccc3c3ccccc32)cc1C.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is LQFOXJNAVMKTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30BN5O.Pt/c1-23-9-8-10-24(2)36(23)38-41(5)32-16-14-27(20-31(32)37-39-17-18-42(37)38)44-28-13-15-30-29-11-6-7-12-33(29)43(34(30)21-28)35-19-25(3)26(4)22-40-35;/h6-19,22H,1-5H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 766.57 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 155616069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).