N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine

C57H44N2O — CID 89066758

IUPACN-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3nc4ccccc4o3)cc21
InChIInChI=1S/C57H44N2O/c1-3-56(4-2)50-37-39(32-35-45(50)46-36-34-44(38-51(46)56)59(43-24-12-7-13-25-43)55-58-52-29-16-17-30-53(52)60-55)31-33-40-19-18-28-49-54(40)47-26-14-15-27-48(47)57(49,41-20-8-5-9-21-41)42-22-10-6-11-23-42/h5-38H,3-4H2,1-2H3/b33-31+
InChIKeyAHHUIUWBUMZVFD-QOSDPKFLSA-N
MW772.99 g/mol
LogP14.92
Rot. Bonds9

About N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine

N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine (PubChem CID 89066758) has the molecular formula C57H44N2O and a molecular weight of 772.99 g/mol. Its IUPAC name is N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
PubChem CID89066758
Molecular FormulaC57H44N2O
Molecular Weight772.99 g/mol
Exact Mass772.35
IUPAC NameN-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine
SMILESCCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3nc4ccccc4o3)cc21
InChIInChI=1S/C57H44N2O/c1-3-56(4-2)50-37-39(32-35-45(50)46-36-34-44(38-51(46)56)59(43-24-12-7-13-25-43)55-58-52-29-16-17-30-53(52)60-55)31-33-40-19-18-28-49-54(40)47-26-14-15-27-48(47)57(49,41-20-8-5-9-21-41)42-22-10-6-11-23-42/h5-38H,3-4H2,1-2H3/b33-31+
InChIKeyAHHUIUWBUMZVFD-QOSDPKFLSA-N
XLogP14.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.99
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074925
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(4-methoxyphenyl)fluoren-2-amine
CID 89075111
7-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-N-(3,4-diphenylphenyl)-9,9-diethyl-N-phenylfluoren-2-amine
CID 91193814
N,N-bis(3,4-dimethylphenyl)-7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-amine
CID 89075120
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(1,2,6,7-tetrahydroacenaphthylen-5-yl)fluoren-2-amine
CID 89066792
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
7-[(E)-2-(9,9-diphenyl-5,6-dihydrofluoren-4-yl)ethenyl]-9,9-diethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 89067123
10-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]phenothiazine
CID 89074953
7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 89066743
6-[2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-dimethyl-N,N,10-triphenylacridin-3-amine
CID 91214127
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
9,9-diethyl-N,N-diphenyl-7-[2-[3-(4-phenylphenyl)naphthalen-2-yl]ethenyl]fluoren-2-amine
CID 91243704

Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine (CID 89066758) is N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine is CCC1(CC)c2cc(/C=C/c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3nc4ccccc4o3)cc21.
What is the InChIKey of N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine?
The InChIKey is AHHUIUWBUMZVFD-QOSDPKFLSA-N. The full InChI is InChI=1S/C57H44N2O/c1-3-56(4-2)50-37-39(32-35-45(50)46-36-34-44(38-51(46)56)59(43-24-12-7-13-25-43)55-58-52-29-16-17-30-53(52)60-55)31-33-40-19-18-28-49-54(40)47-26-14-15-27-48(47)57(49,41-20-8-5-9-21-41)42-22-10-6-11-23-42/h5-38H,3-4H2,1-2H3/b33-31+.
What are the key properties of N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine?
N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine has a molecular weight of 772.99 g/mol, XLogP of 14.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-2-(9,9-diphenylfluoren-4-yl)ethenyl]-9,9-diethylfluoren-2-yl]-N-phenyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 89066758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).