2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide

C101H82IN12O3Pt- — CID 158310131

IUPAC2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide
SMILESCC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c[n+](C)c6ccccc65)c4)cc32)c1.CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.[I-].[Pt]
InChIInChI=1S/C34H29N4O.C34H27N4O.C33H26N4O.HI.Pt/c2*1-23(2)24-17-18-35-34(19-24)38-30-12-5-4-11-28(30)29-16-15-27(21-33(29)38)39-26-10-8-9-25(20-26)37-22-36(3)31-13-6-7-14-32(31)37;1-22(2)23-16-17-34-33(18-23)37-30-12-5-3-10-27(30)28-15-14-26(20-32(28)37)38-25-9-7-8-24(19-25)36-21-35-29-11-4-6-13-31(29)36;;/h4-23H,1-3H3;4-19,22-23H,1-3H3;3-22H,1-2H3;1H;/q+1;-1;;;/p-1
InChIKeyODYNJZUSVLTRGB-UHFFFAOYSA-M
MW1833.83 g/mol
LogP21.56
Rot. Bonds15

About 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide

2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide (PubChem CID 158310131) has the molecular formula C101H82IN12O3Pt- and a molecular weight of 1833.83 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide
PubChem CID158310131
Molecular FormulaC101H82IN12O3Pt-
Molecular Weight1833.83 g/mol
Exact Mass1832.53
IUPAC Name2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide
SMILESCC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c[n+](C)c6ccccc65)c4)cc32)c1.CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.[I-].[Pt]
InChIInChI=1S/C34H29N4O.C34H27N4O.C33H26N4O.HI.Pt/c2*1-23(2)24-17-18-35-34(19-24)38-30-12-5-4-11-28(30)29-16-15-27(21-33(29)38)39-26-10-8-9-25(20-26)37-22-36(3)31-13-6-7-14-32(31)37;1-22(2)23-16-17-34-33(18-23)37-30-12-5-3-10-27(30)28-15-14-26(20-32(28)37)38-25-9-7-8-24(19-25)36-21-35-29-11-4-6-13-31(29)36;;/h4-23H,1-3H3;4-19,22-23H,1-3H3;3-22H,1-2H3;1H;/q+1;-1;;;/p-1
InChIKeyODYNJZUSVLTRGB-UHFFFAOYSA-M
XLogP21.56
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.83
LogP ≤ 521.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide?
The IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide (CID 158310131) is 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide is CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)ccc3c3ccccc32)c1.CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c[n+](C)c6ccccc65)c4)cc32)c1.CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.[I-].[Pt].
What is the InChIKey of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide?
The InChIKey is ODYNJZUSVLTRGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H29N4O.C34H27N4O.C33H26N4O.HI.Pt/c2*1-23(2)24-17-18-35-34(19-24)38-30-12-5-4-11-28(30)29-16-15-27(21-33(29)38)39-26-10-8-9-25(20-26)37-22-36(3)31-13-6-7-14-32(31)37;1-22(2)23-16-17-34-33(18-23)37-30-12-5-3-10-27(30)28-15-14-26(20-32(28)37)38-25-9-7-8-24(19-25)36-21-35-29-11-4-6-13-31(29)36;;/h4-23H,1-3H3;4-19,22-23H,1-3H3;3-22H,1-2H3;1H;/q+1;-1;;;/p-1.
What are the key properties of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide?
2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide has a molecular weight of 1833.83 g/mol, XLogP of 21.56, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole;2-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum;iodide is sourced from PubChem (CID 158310131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).