7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum

C41H36N5OPt-3 — CID 155633429

IUPAC7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
SMILESCc1nc2cc(Oc3cc(C(C)(C)C)ccn3)[c-]c(C3(c4[c-]c(N5C=CN(C)[CH-]5)ccc4)c4ccccc4-c4ccccc43)n2c1C.[Pt]
InChIInChI=1S/C41H36N5O.Pt/c1-27-28(2)46-37(24-32(25-38(46)43-27)47-39-23-29(18-19-42-39)40(3,4)5)41(30-12-11-13-31(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41;/h7-21,23,25-26H,1-6H3;/q-3;
InChIKeyQWTMJLBODYZGJC-UHFFFAOYSA-N
MW809.85 g/mol
LogP8.74
Rot. Bonds5

About 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum

7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum (PubChem CID 155633429) has the molecular formula C41H36N5OPt-3 and a molecular weight of 809.85 g/mol. Its IUPAC name is 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum.

Molecular Properties

Compound Name7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
PubChem CID155633429
Molecular FormulaC41H36N5OPt-3
Molecular Weight809.85 g/mol
Exact Mass809.26
IUPAC Name7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum
SMILESCc1nc2cc(Oc3cc(C(C)(C)C)ccn3)[c-]c(C3(c4[c-]c(N5C=CN(C)[CH-]5)ccc4)c4ccccc4-c4ccccc43)n2c1C.[Pt]
InChIInChI=1S/C41H36N5O.Pt/c1-27-28(2)46-37(24-32(25-38(46)43-27)47-39-23-29(18-19-42-39)40(3,4)5)41(30-12-11-13-31(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41;/h7-21,23,25-26H,1-6H3;/q-3;
InChIKeyQWTMJLBODYZGJC-UHFFFAOYSA-N
XLogP8.74
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.85
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 130380942
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CID 140903756

Frequently Asked Questions

What is the IUPAC name of 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The IUPAC name of 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum (CID 155633429) is 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum.
What is the SMILES notation for 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The canonical SMILES for 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum is Cc1nc2cc(Oc3cc(C(C)(C)C)ccn3)[c-]c(C3(c4[c-]c(N5C=CN(C)[CH-]5)ccc4)c4ccccc4-c4ccccc43)n2c1C.[Pt].
What is the InChIKey of 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
The InChIKey is QWTMJLBODYZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N5O.Pt/c1-27-28(2)46-37(24-32(25-38(46)43-27)47-39-23-29(18-19-42-39)40(3,4)5)41(30-12-11-13-31(22-30)45-21-20-44(6)26-45)35-16-9-7-14-33(35)34-15-8-10-17-36(34)41;/h7-21,23,25-26H,1-6H3;/q-3;.
What are the key properties of 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum?
7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum has a molecular weight of 809.85 g/mol, XLogP of 8.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-5-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-6H-imidazo[1,2-a]pyridin-6-ide;platinum is sourced from PubChem (CID 155633429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).