N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine

C23H21N — CID 163509163

IUPACN-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESC=Cc1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C23H21N/c1-4-16-9-11-17(12-10-16)24-18-13-14-20-19-7-5-6-8-21(19)23(2,3)22(20)15-18/h4-15,24H,1H2,2-3H3
InChIKeyDBERXHXFPNMUNW-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.38
Rot. Bonds3

About N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine

N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 163509163) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID163509163
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
SMILESC=Cc1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C23H21N/c1-4-16-9-11-17(12-10-16)24-18-13-14-20-19-7-5-6-8-21(19)23(2,3)22(20)15-18/h4-15,24H,1H2,2-3H3
InChIKeyDBERXHXFPNMUNW-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine (CID 163509163) is N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine is C=Cc1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is DBERXHXFPNMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-4-16-9-11-17(12-10-16)24-18-13-14-20-19-7-5-6-8-21(19)23(2,3)22(20)15-18/h4-15,24H,1H2,2-3H3.
What are the key properties of N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 311.43 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 163509163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).