butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine

C31H39N — CID 143743214

IUPACbutane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
SMILESCCC(C)(N)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CCCC
InChIInChI=1S/C27H29N.C4H10/c1-5-27(4,28)21-15-12-19(13-16-21)10-11-20-14-17-23-22-8-6-7-9-24(22)26(2,3)25(23)18-20;1-3-4-2/h6-18H,5,28H2,1-4H3;3-4H2,1-2H3/b11-10+;
InChIKeyJJZJOUPNEXWSDT-ASTDGNLGSA-N
MW425.66 g/mol
LogP8.55
Rot. Bonds5

About butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine

butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine (PubChem CID 143743214) has the molecular formula C31H39N and a molecular weight of 425.66 g/mol. Its IUPAC name is butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine.

Molecular Properties

Compound Namebutane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
PubChem CID143743214
Molecular FormulaC31H39N
Molecular Weight425.66 g/mol
Exact Mass425.31
IUPAC Namebutane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine
SMILESCCC(C)(N)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CCCC
InChIInChI=1S/C27H29N.C4H10/c1-5-27(4,28)21-15-12-19(13-16-21)10-11-20-14-17-23-22-8-6-7-9-24(22)26(2,3)25(23)18-20;1-3-4-2/h6-18H,5,28H2,1-4H3;3-4H2,1-2H3/b11-10+;
InChIKeyJJZJOUPNEXWSDT-ASTDGNLGSA-N
XLogP8.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.66
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
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
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
7-[(E)-2-[4-(N-(4-tert-butylphenyl)-4-methylanilino)phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067561
3-(9,9-dimethylfluoren-2-yl)prop-2-enoic acid
CID 169461084
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
2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
CID 70641823
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-[(E)-2-[7-(N-(4-tert-butylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068171
4-(9,9-dimethylfluoren-2-yl)but-3-enenitrile
CID 170800688

Frequently Asked Questions

What is the IUPAC name of butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine?
The IUPAC name of butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine (CID 143743214) is butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine.
What is the SMILES notation for butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine?
The canonical SMILES for butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine is CCC(C)(N)c1ccc(/C=C/c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.CCCC.
What is the InChIKey of butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine?
The InChIKey is JJZJOUPNEXWSDT-ASTDGNLGSA-N. The full InChI is InChI=1S/C27H29N.C4H10/c1-5-27(4,28)21-15-12-19(13-16-21)10-11-20-14-17-23-22-8-6-7-9-24(22)26(2,3)25(23)18-20;1-3-4-2/h6-18H,5,28H2,1-4H3;3-4H2,1-2H3/b11-10+;.
What are the key properties of butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine?
butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine has a molecular weight of 425.66 g/mol, XLogP of 8.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-[4-[(E)-2-(9,9-dimethylfluoren-2-yl)ethenyl]phenyl]butan-2-amine is sourced from PubChem (CID 143743214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).