2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline

C60H44FN — CID 137388125

IUPAC2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESC=CCc1cc(F)c2c(c1)C1(c3ccccc3-2)c2cc(C)cc(C)c2-c2cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C60H44FN/c1-4-16-41-37-54-58(55(61)38-41)50-22-11-13-25-52(50)60(54)53-36-39(2)35-40(3)57(53)51-24-15-23-49(59(51)60)48-21-12-14-26-56(48)62(46-31-27-44(28-32-46)42-17-7-5-8-18-42)47-33-29-45(30-34-47)43-19-9-6-10-20-43/h4-15,17-38H,1,16H2,2-3H3
InChIKeyQWRRYJUQZHROPR-UHFFFAOYSA-N
MW798.02 g/mol
LogP15.99
Rot. Bonds8

About 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline

2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 137388125) has the molecular formula C60H44FN and a molecular weight of 798.02 g/mol. Its IUPAC name is 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID137388125
Molecular FormulaC60H44FN
Molecular Weight798.02 g/mol
Exact Mass797.35
IUPAC Name2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESC=CCc1cc(F)c2c(c1)C1(c3ccccc3-2)c2cc(C)cc(C)c2-c2cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C60H44FN/c1-4-16-41-37-54-58(55(61)38-41)50-22-11-13-25-52(50)60(54)53-36-39(2)35-40(3)57(53)51-24-15-23-49(59(51)60)48-21-12-14-26-56(48)62(46-31-27-44(28-32-46)42-17-7-5-8-18-42)47-33-29-45(30-34-47)43-19-9-6-10-20-43/h4-15,17-38H,1,16H2,2-3H3
InChIKeyQWRRYJUQZHROPR-UHFFFAOYSA-N
XLogP15.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.02
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline
CID 146543841
2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine
CID 167056814
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline
CID 144833355
2',7'-difluoro-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine;2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-2',7'-difluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158098032
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170140987
N-phenyl-N-(4-phenylphenyl)-1-(9,9'-spirobi[fluorene]-1-yl)naphthalen-2-amine
CID 130379437
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline (CID 137388125) is 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline is C=CCc1cc(F)c2c(c1)C1(c3ccccc3-2)c2cc(C)cc(C)c2-c2cccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is QWRRYJUQZHROPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44FN/c1-4-16-41-37-54-58(55(61)38-41)50-22-11-13-25-52(50)60(54)53-36-39(2)35-40(3)57(53)51-24-15-23-49(59(51)60)48-21-12-14-26-56(48)62(46-31-27-44(28-32-46)42-17-7-5-8-18-42)47-33-29-45(30-34-47)43-19-9-6-10-20-43/h4-15,17-38H,1,16H2,2-3H3.
What are the key properties of 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline?
2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 798.02 g/mol, XLogP of 15.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 137388125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).