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

C45H43N5Pt — CID 155633333

IUPAC5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1cc(C)n(-c2[c-]c(C3(c4[c-]c(C(C)(C)c5cc(C(C)(C)C)ccn5)n5c(C)c(C)nc5c4)c4ccccc4-c4ccccc43)ccc2)n1.[Pt+2]
InChIInChI=1S/C45H43N5.Pt/c1-28-23-29(2)50(48-28)35-16-14-15-33(24-35)45(38-19-12-10-17-36(38)37-18-11-13-20-39(37)45)34-26-41(49-31(4)30(3)47-42(49)27-34)44(8,9)40-25-32(21-22-46-40)43(5,6)7;/h10-23,25,27H,1-9H3;/q-2;+2
InChIKeyDIUBLGYJTYFCNT-UHFFFAOYSA-N
MW848.95 g/mol
LogP9.73
Rot. Bonds5

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

5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (PubChem CID 155633333) has the molecular formula C45H43N5Pt and a molecular weight of 848.95 g/mol. Its IUPAC name is 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).

Molecular Properties

Compound Name5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
PubChem CID155633333
Molecular FormulaC45H43N5Pt
Molecular Weight848.95 g/mol
Exact Mass848.32
IUPAC Name5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)
SMILESCc1cc(C)n(-c2[c-]c(C3(c4[c-]c(C(C)(C)c5cc(C(C)(C)C)ccn5)n5c(C)c(C)nc5c4)c4ccccc4-c4ccccc43)ccc2)n1.[Pt+2]
InChIInChI=1S/C45H43N5.Pt/c1-28-23-29(2)50(48-28)35-16-14-15-33(24-35)45(38-19-12-10-17-36(38)37-18-11-13-20-39(37)45)34-26-41(49-31(4)30(3)47-42(49)27-34)44(8,9)40-25-32(21-22-46-40)43(5,6)7;/h10-23,25,27H,1-9H3;/q-2;+2
InChIKeyDIUBLGYJTYFCNT-UHFFFAOYSA-N
XLogP9.73
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.95
LogP ≤ 59.73
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The IUPAC name of 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) (CID 155633333) is 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+).
What is the SMILES notation for 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The canonical SMILES for 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is Cc1cc(C)n(-c2[c-]c(C3(c4[c-]c(C(C)(C)c5cc(C(C)(C)C)ccn5)n5c(C)c(C)nc5c4)c4ccccc4-c4ccccc43)ccc2)n1.[Pt+2].
What is the InChIKey of 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
The InChIKey is DIUBLGYJTYFCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43N5.Pt/c1-28-23-29(2)50(48-28)35-16-14-15-33(24-35)45(38-19-12-10-17-36(38)37-18-11-13-20-39(37)45)34-26-41(49-31(4)30(3)47-42(49)27-34)44(8,9)40-25-32(21-22-46-40)43(5,6)7;/h10-23,25,27H,1-9H3;/q-2;+2.
What are the key properties of 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+)?
5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) has a molecular weight of 848.95 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-7-[9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-2,3-dimethyl-6H-imidazo[1,2-a]pyridin-6-ide;platinum(2+) is sourced from PubChem (CID 155633333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).