4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline

C23H21N — CID 72540036

IUPAC4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(C=Cc3ccc(N)cc3)cc21
InChIInChI=1S/C23H21N/c1-23(2)21-6-4-3-5-19(21)20-14-11-17(15-22(20)23)8-7-16-9-12-18(24)13-10-16/h3-15H,24H2,1-2H3
InChIKeyLVDXKUIYZNFKEW-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.75
Rot. Bonds2

About 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline

4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline (PubChem CID 72540036) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
PubChem CID72540036
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(C=Cc3ccc(N)cc3)cc21
InChIInChI=1S/C23H21N/c1-23(2)21-6-4-3-5-19(21)20-14-11-17(15-22(20)23)8-7-16-9-12-18(24)13-10-16/h3-15H,24H2,1-2H3
InChIKeyLVDXKUIYZNFKEW-UHFFFAOYSA-N
XLogP5.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
CID 143743214
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
CID 170800688
4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane
CID 91459517

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline?
The IUPAC name of 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline (CID 72540036) is 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline.
What is the SMILES notation for 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline?
The canonical SMILES for 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline is CC1(C)c2ccccc2-c2ccc(C=Cc3ccc(N)cc3)cc21.
What is the InChIKey of 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline?
The InChIKey is LVDXKUIYZNFKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-23(2)21-6-4-3-5-19(21)20-14-11-17(15-22(20)23)8-7-16-9-12-18(24)13-10-16/h3-15H,24H2,1-2H3.
What are the key properties of 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline?
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline has a molecular weight of 311.43 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline is sourced from PubChem (CID 72540036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).