4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile

C19H17N — CID 170800688

IUPAC4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
SMILESCC1(C)c2ccccc2-c2ccc(C=CCC#N)cc21
InChIInChI=1S/C19H17N/c1-19(2)17-9-4-3-8-15(17)16-11-10-14(13-18(16)19)7-5-6-12-20/h3-5,7-11,13H,6H2,1-2H3
InChIKeyYYNXSHGTAPEKBN-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.92
Rot. Bonds2

About 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile

4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile (PubChem CID 170800688) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
PubChem CID170800688
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
SMILESCC1(C)c2ccccc2-c2ccc(C=CCC#N)cc21
InChIInChI=1S/C19H17N/c1-19(2)17-9-4-3-8-15(17)16-11-10-14(13-18(16)19)7-5-6-12-20/h3-5,7-11,13H,6H2,1-2H3
InChIKeyYYNXSHGTAPEKBN-UHFFFAOYSA-N
XLogP4.92
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)but-3-enamide
CID 170798912
(E)-4-[7-[7-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]but-3-en-1-amine
CID 143207709
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
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
butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
CID 143743214
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
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
4-[(9,9-dimethylfluoren-2-yl)-[7-[(E)-2-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]amino]benzonitrile
CID 59245949
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile (CID 170800688) is 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile is CC1(C)c2ccccc2-c2ccc(C=CCC#N)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile?
The InChIKey is YYNXSHGTAPEKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-19(2)17-9-4-3-8-15(17)16-11-10-14(13-18(16)19)7-5-6-12-20/h3-5,7-11,13H,6H2,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile?
4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile has a molecular weight of 259.35 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile is sourced from PubChem (CID 170800688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).