1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole

C29H25NO2 — CID 139396097

IUPAC1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole
SMILESC=C1c2ccccc2C(c2ccc(OC)cc2)(c2ccc(OC)cc2)N1c1ccccc1
InChIInChI=1S/C29H25NO2/c1-21-27-11-7-8-12-28(27)29(22-13-17-25(31-2)18-14-22,23-15-19-26(32-3)20-16-23)30(21)24-9-5-4-6-10-24/h4-20H,1H2,2-3H3
InChIKeyFPFVSTFLIUISAD-UHFFFAOYSA-N
MW419.52 g/mol
LogP6.49
Rot. Bonds5

About 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole

1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole (PubChem CID 139396097) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole
PubChem CID139396097
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole
SMILESC=C1c2ccccc2C(c2ccc(OC)cc2)(c2ccc(OC)cc2)N1c1ccccc1
InChIInChI=1S/C29H25NO2/c1-21-27-11-7-8-12-28(27)29(22-13-17-25(31-2)18-14-22,23-15-19-26(32-3)20-16-23)30(21)24-9-5-4-6-10-24/h4-20H,1H2,2-3H3
InChIKeyFPFVSTFLIUISAD-UHFFFAOYSA-N
XLogP6.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole?
The IUPAC name of 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole (CID 139396097) is 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole is C=C1c2ccccc2C(c2ccc(OC)cc2)(c2ccc(OC)cc2)N1c1ccccc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole?
The InChIKey is FPFVSTFLIUISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-21-27-11-7-8-12-28(27)29(22-13-17-25(31-2)18-14-22,23-15-19-26(32-3)20-16-23)30(21)24-9-5-4-6-10-24/h4-20H,1H2,2-3H3.
What are the key properties of 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole?
1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole has a molecular weight of 419.52 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)-3-methylidene-2-phenylisoindole is sourced from PubChem (CID 139396097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).