5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine

C90H62N4 — CID 89111089

IUPAC5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C4(C6=C(CCC=C6)c6ccccc64)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(C4=CC5=C(CC4)c4ccccc4C54c5ccccc5-c5ccccc54)c3c2)c2ccccc21
InChIInChI=1S/C90H62N4/c1-91-79-35-15-19-39-83(79)93(84-40-20-16-36-80(84)91)57-45-49-67-69(53-57)87(55-43-47-65-63-27-7-13-33-75(63)89(77(65)51-55)71-29-9-3-23-59(71)60-24-4-10-30-72(60)89)68-50-46-58(94-85-41-21-17-37-81(85)92(2)82-38-18-22-42-86(82)94)54-70(68)88(67)56-44-48-66-64-28-8-14-34-76(64)90(78(66)52-56)73-31-11-5-25-61(73)62-26-6-12-32-74(62)90/h3-5,7-25,27-42,44-46,48-54H,6,26,43,47H2,1-2H3
InChIKeyYIADLDTVQLTYKA-UHFFFAOYSA-N
MW1199.51 g/mol
LogP23.15
Rot. Bonds4

About 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine

5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine (PubChem CID 89111089) has the molecular formula C90H62N4 and a molecular weight of 1199.51 g/mol. Its IUPAC name is 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine.

Molecular Properties

Compound Name5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
PubChem CID89111089
Molecular FormulaC90H62N4
Molecular Weight1199.51 g/mol
Exact Mass1198.50
IUPAC Name5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
SMILESCN1c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C4(C6=C(CCC=C6)c6ccccc64)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(C4=CC5=C(CC4)c4ccccc4C54c5ccccc5-c5ccccc54)c3c2)c2ccccc21
InChIInChI=1S/C90H62N4/c1-91-79-35-15-19-39-83(79)93(84-40-20-16-36-80(84)91)57-45-49-67-69(53-57)87(55-43-47-65-63-27-7-13-33-75(63)89(77(65)51-55)71-29-9-3-23-59(71)60-24-4-10-30-72(60)89)68-50-46-58(94-85-41-21-17-37-81(85)92(2)82-38-18-22-42-86(82)94)54-70(68)88(67)56-44-48-66-64-28-8-14-34-76(64)90(78(66)52-56)73-31-11-5-25-61(73)62-26-6-12-32-74(62)90/h3-5,7-25,27-42,44-46,48-54H,6,26,43,47H2,1-2H3
InChIKeyYIADLDTVQLTYKA-UHFFFAOYSA-N
XLogP23.15
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.51
LogP ≤ 523.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine?
The IUPAC name of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine (CID 89111089) is 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine.
What is the SMILES notation for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine?
The canonical SMILES for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine is CN1c2ccccc2N(c2ccc3c(-c4ccc5c(c4)C4(C6=C(CCC=C6)c6ccccc64)c4ccccc4-5)c4cc(N5c6ccccc6N(C)c6ccccc65)ccc4c(C4=CC5=C(CC4)c4ccccc4C54c5ccccc5-c5ccccc54)c3c2)c2ccccc21.
What is the InChIKey of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine?
The InChIKey is YIADLDTVQLTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62N4/c1-91-79-35-15-19-39-83(79)93(84-40-20-16-36-80(84)91)57-45-49-67-69(53-57)87(55-43-47-65-63-27-7-13-33-75(63)89(77(65)51-55)71-29-9-3-23-59(71)60-24-4-10-30-72(60)89)68-50-46-58(94-85-41-21-17-37-81(85)92(2)82-38-18-22-42-86(82)94)54-70(68)88(67)56-44-48-66-64-28-8-14-34-76(64)90(78(66)52-56)73-31-11-5-25-61(73)62-26-6-12-32-74(62)90/h3-5,7-25,27-42,44-46,48-54H,6,26,43,47H2,1-2H3.
What are the key properties of 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine?
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine has a molecular weight of 1199.51 g/mol, XLogP of 23.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine is sourced from PubChem (CID 89111089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).