[2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)

C56H48N2O4Pt — CID 58401583

IUPAC[2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
SMILESCC1(C)c2ccccc2-c2cccc(-c3c[c-]c(-c4cc(CO)ccn4)c(CO)c3)c21.COc1ccnc(-c2[c-]cc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2OC)c1.[Pt+2]
InChIInChI=1S/2C28H24NO2.Pt/c1-28(2)24-11-6-5-8-21(24)22-10-7-9-20(27(22)28)18-12-13-23(26(16-18)31-4)25-17-19(30-3)14-15-29-25;1-28(2)25-9-4-3-6-23(25)24-8-5-7-22(27(24)28)19-10-11-21(20(15-19)17-31)26-14-18(16-30)12-13-29-26;/h5-12,14-17H,1-4H3;3-10,12-15,30-31H,16-17H2,1-2H3;/q2*-1;+2
InChIKeyFFBBZASUZQVNRJ-UHFFFAOYSA-N
MW1008.09 g/mol
LogP12.04
Rot. Bonds8

About [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)

[2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) (PubChem CID 58401583) has the molecular formula C56H48N2O4Pt and a molecular weight of 1008.09 g/mol. Its IUPAC name is [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+).

Molecular Properties

Compound Name[2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
PubChem CID58401583
Molecular FormulaC56H48N2O4Pt
Molecular Weight1008.09 g/mol
Exact Mass1007.33
IUPAC Name[2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)
SMILESCC1(C)c2ccccc2-c2cccc(-c3c[c-]c(-c4cc(CO)ccn4)c(CO)c3)c21.COc1ccnc(-c2[c-]cc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2OC)c1.[Pt+2]
InChIInChI=1S/2C28H24NO2.Pt/c1-28(2)24-11-6-5-8-21(24)22-10-7-9-20(27(22)28)18-12-13-23(26(16-18)31-4)25-17-19(30-3)14-15-29-25;1-28(2)25-9-4-3-6-23(25)24-8-5-7-22(27(24)28)19-10-11-21(20(15-19)17-31)26-14-18(16-30)12-13-29-26;/h5-12,14-17H,1-4H3;3-10,12-15,30-31H,16-17H2,1-2H3;/q2*-1;+2
InChIKeyFFBBZASUZQVNRJ-UHFFFAOYSA-N
XLogP12.04
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.09
LogP ≤ 512.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
The IUPAC name of [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) (CID 58401583) is [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+).
What is the SMILES notation for [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
The canonical SMILES for [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) is CC1(C)c2ccccc2-c2cccc(-c3c[c-]c(-c4cc(CO)ccn4)c(CO)c3)c21.COc1ccnc(-c2[c-]cc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc2OC)c1.[Pt+2].
What is the InChIKey of [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
The InChIKey is FFBBZASUZQVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24NO2.Pt/c1-28(2)24-11-6-5-8-21(24)22-10-7-9-20(27(22)28)18-12-13-23(26(16-18)31-4)25-17-19(30-3)14-15-29-25;1-28(2)25-9-4-3-6-23(25)24-8-5-7-22(27(24)28)19-10-11-21(20(15-19)17-31)26-14-18(16-30)12-13-29-26;/h5-12,14-17H,1-4H3;3-10,12-15,30-31H,16-17H2,1-2H3;/q2*-1;+2.
What are the key properties of [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+)?
[2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) has a molecular weight of 1008.09 g/mol, XLogP of 12.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(9,9-dimethylfluoren-1-yl)-2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-[4-(9,9-dimethylfluoren-1-yl)-2-methoxybenzene-6-id-1-yl]-4-methoxypyridine;platinum(2+) is sourced from PubChem (CID 58401583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).