4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol

C28H23NO — CID 135997437

IUPAC4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol
SMILESCc1cc(/C=N/c2ccccc2)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C28H23NO/c1-19-16-20(18-29-21-10-4-3-5-11-21)27(30)26(17-19)28(2)24-14-8-6-12-22(24)23-13-7-9-15-25(23)28/h3-18,30H,1-2H3/b29-18+
InChIKeyQVSXHLLFTDOSRN-RDRPBHBLSA-N
MW389.50 g/mol
LogP6.79
Rot. Bonds3

About 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol

4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol (PubChem CID 135997437) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol
PubChem CID135997437
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol
SMILESCc1cc(/C=N/c2ccccc2)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C28H23NO/c1-19-16-20(18-29-21-10-4-3-5-11-21)27(30)26(17-19)28(2)24-14-8-6-12-22(24)23-13-7-9-15-25(23)28/h3-18,30H,1-2H3/b29-18+
InChIKeyQVSXHLLFTDOSRN-RDRPBHBLSA-N
XLogP6.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol?
The IUPAC name of 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol (CID 135997437) is 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol.
What is the SMILES notation for 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol?
The canonical SMILES for 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol is Cc1cc(/C=N/c2ccccc2)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol?
The InChIKey is QVSXHLLFTDOSRN-RDRPBHBLSA-N. The full InChI is InChI=1S/C28H23NO/c1-19-16-20(18-29-21-10-4-3-5-11-21)27(30)26(17-19)28(2)24-14-8-6-12-22(24)23-13-7-9-15-25(23)28/h3-18,30H,1-2H3/b29-18+.
What are the key properties of 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol?
4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol has a molecular weight of 389.50 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol is sourced from PubChem (CID 135997437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).