2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene

C42H33N — CID 160988572

IUPAC2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene
SMILESCC(C)=C1c2ccccc2-c2ccccc21.Nc1ccccc1C(=C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C26H19N.C16H14/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1-17H,27H2;3-10H,1-2H3
InChIKeyTUHSKSSPTIJPQK-UHFFFAOYSA-N
MW551.73 g/mol
LogP10.77
Rot. Bonds2

About 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene

2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene (PubChem CID 160988572) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene.

Molecular Properties

Compound Name2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene
PubChem CID160988572
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene
SMILESCC(C)=C1c2ccccc2-c2ccccc21.Nc1ccccc1C(=C1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C26H19N.C16H14/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1-17H,27H2;3-10H,1-2H3
InChIKeyTUHSKSSPTIJPQK-UHFFFAOYSA-N
XLogP10.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 510.77
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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Frequently Asked Questions

What is the IUPAC name of 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene?
The IUPAC name of 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene (CID 160988572) is 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene.
What is the SMILES notation for 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene?
The canonical SMILES for 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene is CC(C)=C1c2ccccc2-c2ccccc21.Nc1ccccc1C(=C1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene?
The InChIKey is TUHSKSSPTIJPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N.C16H14/c27-24-17-9-8-16-23(24)25(18-10-2-1-3-11-18)26-21-14-6-4-12-19(21)20-13-5-7-15-22(20)26;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h1-17H,27H2;3-10H,1-2H3.
What are the key properties of 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene?
2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene has a molecular weight of 551.73 g/mol, XLogP of 10.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoren-9-ylidene(phenyl)methyl]aniline;9-propan-2-ylidenefluorene is sourced from PubChem (CID 160988572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).