CID 164734283

C52H50N4OPt-2 — CID 164734283

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)C(C)(C)C(C)(C)c4ccc6c7c4n-5c(=[Pt])n7-c4ccccc4C(C)(C)C6(C)C)ccc3c3ccccc32)c1
InChIInChI=1S/C52H50N4O.Pt/c1-48(2,3)32-26-27-53-45(28-32)56-41-18-14-12-16-35(41)36-22-20-33(29-43(36)56)57-34-21-23-38-44(30-34)55-31-54-42-19-15-13-17-37(42)49(4,5)51(8,9)39-24-25-40(47(55)46(39)54)52(10,11)50(38,6)7;/h12-28H,1-11H3;/q-2;
InChIKeyIWDKCUFLKWJURX-UHFFFAOYSA-N
MW942.08 g/mol
LogP12.82
Rot. Bonds3

About CID 164734283

CID 164734283 (PubChem CID 164734283) has the molecular formula C52H50N4OPt-2 and a molecular weight of 942.08 g/mol.

Molecular Properties

Compound NameCID 164734283
PubChem CID164734283
Molecular FormulaC52H50N4OPt-2
Molecular Weight942.08 g/mol
Exact Mass941.36
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)C(C)(C)C(C)(C)c4ccc6c7c4n-5c(=[Pt])n7-c4ccccc4C(C)(C)C6(C)C)ccc3c3ccccc32)c1
InChIInChI=1S/C52H50N4O.Pt/c1-48(2,3)32-26-27-53-45(28-32)56-41-18-14-12-16-35(41)36-22-20-33(29-43(36)56)57-34-21-23-38-44(30-34)55-31-54-42-19-15-13-17-37(42)49(4,5)51(8,9)39-24-25-40(47(55)46(39)54)52(10,11)50(38,6)7;/h12-28H,1-11H3;/q-2;
InChIKeyIWDKCUFLKWJURX-UHFFFAOYSA-N
XLogP12.82
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.08
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 155616496
CID 155616496
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169066090
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 155622876
2-[3-tert-butyl-5-[3-(9,9-dimethylfluoren-1-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 165150169
6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,11-dimethyl-5H-imidazo[1,2-c][1,3]benzodiazepin-4-ium-5-ide;platinum
CID 170930477
CID 165374962
CID 165374962
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-3-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446598
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446547
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 167401151
CID 168811460
CID 168811460
CID 155616633
CID 155616633
9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 169065939

Frequently Asked Questions

What is the IUPAC name of CID 164734283?
The IUPAC name of CID 164734283 (CID 164734283) is not available.
What is the SMILES notation for CID 164734283?
The canonical SMILES for CID 164734283 is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c5c(cc4)C(C)(C)C(C)(C)c4ccc6c7c4n-5c(=[Pt])n7-c4ccccc4C(C)(C)C6(C)C)ccc3c3ccccc32)c1.
What is the InChIKey of CID 164734283?
The InChIKey is IWDKCUFLKWJURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N4O.Pt/c1-48(2,3)32-26-27-53-45(28-32)56-41-18-14-12-16-35(41)36-22-20-33(29-43(36)56)57-34-21-23-38-44(30-34)55-31-54-42-19-15-13-17-37(42)49(4,5)51(8,9)39-24-25-40(47(55)46(39)54)52(10,11)50(38,6)7;/h12-28H,1-11H3;/q-2;.
What are the key properties of CID 164734283?
CID 164734283 has a molecular weight of 942.08 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164734283 is sourced from PubChem (CID 164734283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).