CID 170930584

C48H38N4Pt-2 — CID 170930584

IUPAC—
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Cc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc2c2ccccc2c2ccccc21.[Pt]
InChIInChI=1S/C48H38N4.Pt/c1-48(2,3)35-26-27-49-47(31-35)52-45-23-12-9-20-41(45)42-25-24-34(30-46(42)52)28-33-14-13-15-36(29-33)51-32-50(4)43-21-10-7-18-39(43)37-16-5-6-17-38(37)40-19-8-11-22-44(40)51;/h5-27,31H,28H2,1-4H3;/q-2;/i4D3;
InChIKeyRVUQDSVXPLMNDT-NXIGQQGZSA-N
MW868.96 g/mol
LogP10.66
Rot. Bonds5

About CID 170930584

CID 170930584 (PubChem CID 170930584) has the molecular formula C48H38N4Pt-2 and a molecular weight of 868.96 g/mol.

Molecular Properties

Compound NameCID 170930584
PubChem CID170930584
Molecular FormulaC48H38N4Pt-2
Molecular Weight868.96 g/mol
Exact Mass868.29
IUPAC Name—
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Cc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc2c2ccccc2c2ccccc21.[Pt]
InChIInChI=1S/C48H38N4.Pt/c1-48(2,3)35-26-27-49-47(31-35)52-45-23-12-9-20-41(45)42-25-24-34(30-46(42)52)28-33-14-13-15-36(29-33)51-32-50(4)43-21-10-7-18-39(43)37-16-5-6-17-38(37)40-19-8-11-22-44(40)51;/h5-27,31H,28H2,1-4H3;/q-2;/i4D3;
InChIKeyRVUQDSVXPLMNDT-NXIGQQGZSA-N
XLogP10.66
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.96
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 170930499
CID 170930499
CID 164701916
CID 164701916
CID 164701874
CID 164701874
2-[3-[5-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 154594784
9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 162446548
[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-[3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-4-id-1-yl]-bis(2,4,6-trimethylphenyl)borane;platinum
CID 162781949
2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 176775980
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 170517399
CID 170930546
CID 170930546
[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum
CID 171057272
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4,6-tritert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171427704
5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum
CID 171415953

Frequently Asked Questions

What is the IUPAC name of CID 170930584?
The IUPAC name of CID 170930584 (CID 170930584) is not available.
What is the SMILES notation for CID 170930584?
The canonical SMILES for CID 170930584 is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Cc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc2c2ccccc2c2ccccc21.[Pt].
What is the InChIKey of CID 170930584?
The InChIKey is RVUQDSVXPLMNDT-NXIGQQGZSA-N. The full InChI is InChI=1S/C48H38N4.Pt/c1-48(2,3)35-26-27-49-47(31-35)52-45-23-12-9-20-41(45)42-25-24-34(30-46(42)52)28-33-14-13-15-36(29-33)51-32-50(4)43-21-10-7-18-39(43)37-16-5-6-17-38(37)40-19-8-11-22-44(40)51;/h5-27,31H,28H2,1-4H3;/q-2;/i4D3;.
What are the key properties of CID 170930584?
CID 170930584 has a molecular weight of 868.96 g/mol, XLogP of 10.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170930584 is sourced from PubChem (CID 170930584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).