CID 177109482

C37H27N5O2Pt-2 — CID 177109482

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5coc6n[n+](-c7ccccc7)[c-]n56)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C37H27N5O2.Pt/c1-37(2,3)26-18-19-38-35(21-26)42-32-15-8-7-14-30(32)31-17-16-29(22-33(31)42)44-28-13-9-10-25(20-28)34-23-43-36-39-41(24-40(34)36)27-11-5-4-6-12-27;/h4-19,21,23H,1-3H3;/q-2;
InChIKeyCNHGOOOGGJDGEF-UHFFFAOYSA-N
MW768.73 g/mol
LogP7.85
Rot. Bonds5

About CID 177109482

CID 177109482 (PubChem CID 177109482) has the molecular formula C37H27N5O2Pt-2 and a molecular weight of 768.73 g/mol.

Molecular Properties

Compound NameCID 177109482
PubChem CID177109482
Molecular FormulaC37H27N5O2Pt-2
Molecular Weight768.73 g/mol
Exact Mass768.18
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5coc6n[n+](-c7ccccc7)[c-]n56)ccc4)ccc3c3ccccc32)c1.[Pt]
InChIInChI=1S/C37H27N5O2.Pt/c1-37(2,3)26-18-19-38-35(21-26)42-32-15-8-7-14-30(32)31-17-16-29(22-33(31)42)44-28-13-9-10-25(20-28)34-23-43-36-39-41(24-40(34)36)27-11-5-4-6-12-27;/h4-19,21,23H,1-3H3;/q-2;
InChIKeyCNHGOOOGGJDGEF-UHFFFAOYSA-N
XLogP7.85
TPSA61.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.73
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 177109489
CID 177109489
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
[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
CID 164778969
CID 164778969
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168848314
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
CID 170930499
CID 170930499
CID 170654648
CID 170654648
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176797818
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155652326
3-[3-[[6-(1-adamantyl)-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-6-(2,6-diphenylphenyl)-7-phenyl-5H-imidazo[5,1-b][1,3]oxazol-6-ium-5-ide;platinum
CID 164833981

Frequently Asked Questions

What is the IUPAC name of CID 177109482?
The IUPAC name of CID 177109482 (CID 177109482) is not available.
What is the SMILES notation for CID 177109482?
The canonical SMILES for CID 177109482 is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5coc6n[n+](-c7ccccc7)[c-]n56)ccc4)ccc3c3ccccc32)c1.[Pt].
What is the InChIKey of CID 177109482?
The InChIKey is CNHGOOOGGJDGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N5O2.Pt/c1-37(2,3)26-18-19-38-35(21-26)42-32-15-8-7-14-30(32)31-17-16-29(22-33(31)42)44-28-13-9-10-25(20-28)34-23-43-36-39-41(24-40(34)36)27-11-5-4-6-12-27;/h4-19,21,23H,1-3H3;/q-2;.
What are the key properties of CID 177109482?
CID 177109482 has a molecular weight of 768.73 g/mol, XLogP of 7.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177109482 is sourced from PubChem (CID 177109482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).