4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline

C34H33N — CID 143811419

IUPAC4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline
SMILESC=CCNc1ccc(-c2ccc3c(c2)C(/C(C)=C/C)(c2ccc(C)cc2)c2ccccc2-3)cc1C
InChIInChI=1S/C34H33N/c1-6-20-35-33-19-15-26(21-24(33)4)27-14-18-30-29-10-8-9-11-31(29)34(25(5)7-2,32(30)22-27)28-16-12-23(3)13-17-28/h6-19,21-22,35H,1,20H2,2-5H3/b25-7+
InChIKeyRSUXPYGZMROZAJ-JRXWSOMVSA-N
MW455.65 g/mol
LogP8.85
Rot. Bonds6

About 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline

4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline (PubChem CID 143811419) has the molecular formula C34H33N and a molecular weight of 455.65 g/mol. Its IUPAC name is 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline
PubChem CID143811419
Molecular FormulaC34H33N
Molecular Weight455.65 g/mol
Exact Mass455.26
IUPAC Name4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline
SMILESC=CCNc1ccc(-c2ccc3c(c2)C(/C(C)=C/C)(c2ccc(C)cc2)c2ccccc2-3)cc1C
InChIInChI=1S/C34H33N/c1-6-20-35-33-19-15-26(21-24(33)4)27-14-18-30-29-10-8-9-11-31(29)34(25(5)7-2,32(30)22-27)28-16-12-23(3)13-17-28/h6-19,21-22,35H,1,20H2,2-5H3/b25-7+
InChIKeyRSUXPYGZMROZAJ-JRXWSOMVSA-N
XLogP8.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
4-N-[4-(1-but-2-en-2-yl-3-ethenyl-2-methylinden-1-yl)phenyl]-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 123690514
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
CID 67926242
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine
CID 170011896
2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene
CID 70971884

Frequently Asked Questions

What is the IUPAC name of 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline?
The IUPAC name of 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline (CID 143811419) is 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline.
What is the SMILES notation for 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline?
The canonical SMILES for 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline is C=CCNc1ccc(-c2ccc3c(c2)C(/C(C)=C/C)(c2ccc(C)cc2)c2ccccc2-3)cc1C.
What is the InChIKey of 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline?
The InChIKey is RSUXPYGZMROZAJ-JRXWSOMVSA-N. The full InChI is InChI=1S/C34H33N/c1-6-20-35-33-19-15-26(21-24(33)4)27-14-18-30-29-10-8-9-11-31(29)34(25(5)7-2,32(30)22-27)28-16-12-23(3)13-17-28/h6-19,21-22,35H,1,20H2,2-5H3/b25-7+.
What are the key properties of 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline?
4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline has a molecular weight of 455.65 g/mol, XLogP of 8.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline is sourced from PubChem (CID 143811419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).