platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide

C39H35N3O2Pt-2 — CID 176635697

IUPACplatinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide
SMILESCC(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-[n+]2[c-]oc3ccc(C(C)C)cc32)c1.[Pt]
InChIInChI=1S/C39H35N3O2.Pt/c1-24(2)27-11-14-38-37(19-27)41(23-43-38)30-17-29(26(5)6)18-32(21-30)44-31-12-13-34-33-9-7-8-10-35(33)42(36(34)22-31)39-20-28(25(3)4)15-16-40-39;/h7-20,24-26H,1-6H3;/q-2;
InChIKeySFTKHFSIDLMURK-UHFFFAOYSA-N
MW772.81 g/mol
LogP9.76
Rot. Bonds7

About platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide

platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide (PubChem CID 176635697) has the molecular formula C39H35N3O2Pt-2 and a molecular weight of 772.81 g/mol. Its IUPAC name is platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide.

Molecular Properties

Compound Nameplatinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide
PubChem CID176635697
Molecular FormulaC39H35N3O2Pt-2
Molecular Weight772.81 g/mol
Exact Mass772.24
IUPAC Nameplatinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide
SMILESCC(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-[n+]2[c-]oc3ccc(C(C)C)cc32)c1.[Pt]
InChIInChI=1S/C39H35N3O2.Pt/c1-24(2)27-11-14-38-37(19-27)41(23-43-38)30-17-29(26(5)6)18-32(21-30)44-31-12-13-34-33-9-7-8-10-35(33)42(36(34)22-31)39-20-28(25(3)4)15-16-40-39;/h7-20,24-26H,1-6H3;/q-2;
InChIKeySFTKHFSIDLMURK-UHFFFAOYSA-N
XLogP9.76
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.81
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[3,5-dimethyl-4-[2,4,6-tri(propan-2-yl)phenyl]pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443096
2-[3-[4-(2,6-dimethylphenyl)-3-methyl-5-propan-2-ylpyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153417397
platinum;3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol
CID 176606556
4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606282
6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171610762
2-[3-[5-tert-butyl-3-methyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;palladium(2+)
CID 153443406
CID 155650066
CID 155650066
2-[3-[4-(2,6-ditert-butyl-3,5-dimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414155
2-[3-[4-(2,6-dimethylphenyl)pyrazol-1-yl]-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413854
platinum(2+);2-[1-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazol-4-yl]benzene-1,3-dicarbonitrile
CID 153414209
2-[3-(4,5-diphenyl-3-propan-2-ylpyrazol-1-yl)-5-methylbenzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153415571
2-[3-[4-[3,5-dimethyl-2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153414939

Frequently Asked Questions

What is the IUPAC name of platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide?
The IUPAC name of platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide (CID 176635697) is platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide.
What is the SMILES notation for platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide?
The canonical SMILES for platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide is CC(C)c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)C)ccn2)[c-]c(-[n+]2[c-]oc3ccc(C(C)C)cc32)c1.[Pt].
What is the InChIKey of platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide?
The InChIKey is SFTKHFSIDLMURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N3O2.Pt/c1-24(2)27-11-14-38-37(19-27)41(23-43-38)30-17-29(26(5)6)18-32(21-30)44-31-12-13-34-33-9-7-8-10-35(33)42(36(34)22-31)39-20-28(25(3)4)15-16-40-39;/h7-20,24-26H,1-6H3;/q-2;.
What are the key properties of platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide?
platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide has a molecular weight of 772.81 g/mol, XLogP of 9.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;5-propan-2-yl-3-[3-propan-2-yl-5-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-2H-1,3-benzoxazol-3-ium-2-ide is sourced from PubChem (CID 176635697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).