3-methyl-N-naphthalen-1-ylfluoren-9-imine

C24H17N — CID 3963334

IUPAC3-methyl-N-naphthalen-1-ylfluoren-9-imine
SMILESCc1ccc2c(c1)-c1ccccc1/C2=N\c1cccc2ccccc12
InChIInChI=1S/C24H17N/c1-16-13-14-21-22(15-16)19-10-4-5-11-20(19)24(21)25-23-12-6-8-17-7-2-3-9-18(17)23/h2-15H,1H3/b25-24+
InChIKeyTWADIVAHKFPUBO-OCOZRVBESA-N
MW319.41 g/mol
LogP6.30
Rot. Bonds1

About 3-methyl-N-naphthalen-1-ylfluoren-9-imine

3-methyl-N-naphthalen-1-ylfluoren-9-imine (PubChem CID 3963334) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-methyl-N-naphthalen-1-ylfluoren-9-imine.

Molecular Properties

Compound Name3-methyl-N-naphthalen-1-ylfluoren-9-imine
PubChem CID3963334
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name3-methyl-N-naphthalen-1-ylfluoren-9-imine
SMILESCc1ccc2c(c1)-c1ccccc1/C2=N\c1cccc2ccccc12
InChIInChI=1S/C24H17N/c1-16-13-14-21-22(15-16)19-10-4-5-11-20(19)24(21)25-23-12-6-8-17-7-2-3-9-18(17)23/h2-15H,1H3/b25-24+
InChIKeyTWADIVAHKFPUBO-OCOZRVBESA-N
XLogP6.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
The IUPAC name of 3-methyl-N-naphthalen-1-ylfluoren-9-imine (CID 3963334) is 3-methyl-N-naphthalen-1-ylfluoren-9-imine.
What is the SMILES notation for 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
The canonical SMILES for 3-methyl-N-naphthalen-1-ylfluoren-9-imine is Cc1ccc2c(c1)-c1ccccc1/C2=N\c1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
The InChIKey is TWADIVAHKFPUBO-OCOZRVBESA-N. The full InChI is InChI=1S/C24H17N/c1-16-13-14-21-22(15-16)19-10-4-5-11-20(19)24(21)25-23-12-6-8-17-7-2-3-9-18(17)23/h2-15H,1H3/b25-24+.
What are the key properties of 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
3-methyl-N-naphthalen-1-ylfluoren-9-imine has a molecular weight of 319.41 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-naphthalen-1-ylfluoren-9-imine is sourced from PubChem (CID 3963334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).