5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine

C59H54N4OSi2 — CID 152965126

IUPAC5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc(C)cn4)c4ccccc4c2-3)nc1
InChIInChI=1S/C59H54N4OSi2/c1-39-21-33-56(60-37-39)62(41-23-28-44(29-24-41)65(3,4)5)43-27-32-48-51(35-43)59(49-17-11-13-19-54(49)64-55-20-14-12-18-50(55)59)52-36-53(46-15-9-10-16-47(46)58(48)52)63(57-34-22-40(2)38-61-57)42-25-30-45(31-26-42)66(6,7)8/h9-38H,1-8H3
InChIKeyURIZREGSJRDWHX-UHFFFAOYSA-N
MW891.28 g/mol
LogP14.75
Rot. Bonds8

About 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine

5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine (PubChem CID 152965126) has the molecular formula C59H54N4OSi2 and a molecular weight of 891.28 g/mol. Its IUPAC name is 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
PubChem CID152965126
Molecular FormulaC59H54N4OSi2
Molecular Weight891.28 g/mol
Exact Mass890.38
IUPAC Name5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc(C)cn4)c4ccccc4c2-3)nc1
InChIInChI=1S/C59H54N4OSi2/c1-39-21-33-56(60-37-39)62(41-23-28-44(29-24-41)65(3,4)5)43-27-32-48-51(35-43)59(49-17-11-13-19-54(49)64-55-20-14-12-18-50(55)59)52-36-53(46-15-9-10-16-47(46)58(48)52)63(57-34-22-40(2)38-61-57)42-25-30-45(31-26-42)66(6,7)8/h9-38H,1-8H3
InChIKeyURIZREGSJRDWHX-UHFFFAOYSA-N
XLogP14.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.28
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine (CID 152965126) is 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine is Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccc([Si](C)(C)C)cc4)c4ccc(C)cn4)c4ccccc4c2-3)nc1.
What is the InChIKey of 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
The InChIKey is URIZREGSJRDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54N4OSi2/c1-39-21-33-56(60-37-39)62(41-23-28-44(29-24-41)65(3,4)5)43-27-32-48-51(35-43)59(49-17-11-13-19-54(49)64-55-20-14-12-18-50(55)59)52-36-53(46-15-9-10-16-47(46)58(48)52)63(57-34-22-40(2)38-61-57)42-25-30-45(31-26-42)66(6,7)8/h9-38H,1-8H3.
What are the key properties of 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine?
5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine has a molecular weight of 891.28 g/mol, XLogP of 14.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(5-methyl-2-pyridinyl)-5-N,9-N-bis(4-trimethylsilylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine is sourced from PubChem (CID 152965126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).