7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine

C59H47N — CID 89074881

IUPAC7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESC1=CCC(c2ccc(-c3ccccc3)c3cccc(-c4ccc(/C=C/c5ccc6c(c5)C5(CCCC5)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4)c23)C=C1
InChIInChI=1S/C59H47N/c1-5-16-44(17-6-1)50-36-37-52(45-18-7-2-8-19-45)58-51(24-15-25-55(50)58)46-31-28-42(29-32-46)26-27-43-30-34-53-54-35-33-49(41-57(54)59(56(53)40-43)38-13-14-39-59)60(47-20-9-3-10-21-47)48-22-11-4-12-23-48/h1-12,15-18,20-37,40-41,45H,13-14,19,38-39H2/b27-26+
InChIKeyVOKXDTXRWKILLA-CYYJNZCTSA-N
MW770.03 g/mol
LogP16.25
Rot. Bonds8

About 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine

7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 89074881) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID89074881
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC Name7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESC1=CCC(c2ccc(-c3ccccc3)c3cccc(-c4ccc(/C=C/c5ccc6c(c5)C5(CCCC5)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4)c23)C=C1
InChIInChI=1S/C59H47N/c1-5-16-44(17-6-1)50-36-37-52(45-18-7-2-8-19-45)58-51(24-15-25-55(50)58)46-31-28-42(29-32-46)26-27-43-30-34-53-54-35-33-49(41-57(54)59(56(53)40-43)38-13-14-39-59)60(47-20-9-3-10-21-47)48-22-11-4-12-23-48/h1-12,15-18,20-37,40-41,45H,13-14,19,38-39H2/b27-26+
InChIKeyVOKXDTXRWKILLA-CYYJNZCTSA-N
XLogP16.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine with MolForge

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Related Compounds

N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N-phenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 89066703
7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 89074839
7'-[(E)-2-[6-(9,10-diphenylphenanthren-3-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 89075150
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]spiro[benzo[a]phenalene-7,1'-cyclopropane]-9-amine
CID 118565245
1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 59025076
7-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenyldibenzothiophen-3-amine
CID 89075012
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672313
2-N'-(3,5-diphenylphenyl)-2-N'-phenyl-7-N',7-N'-bis(4-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 58672384
N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
CID 170214346

Frequently Asked Questions

What is the IUPAC name of 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 89074881) is 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine is C1=CCC(c2ccc(-c3ccccc3)c3cccc(-c4ccc(/C=C/c5ccc6c(c5)C5(CCCC5)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4)c23)C=C1.
What is the InChIKey of 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is VOKXDTXRWKILLA-CYYJNZCTSA-N. The full InChI is InChI=1S/C59H47N/c1-5-16-44(17-6-1)50-36-37-52(45-18-7-2-8-19-45)58-51(24-15-25-55(50)58)46-31-28-42(29-32-46)26-27-43-30-34-53-54-35-33-49(41-57(54)59(56(53)40-43)38-13-14-39-59)60(47-20-9-3-10-21-47)48-22-11-4-12-23-48/h1-12,15-18,20-37,40-41,45H,13-14,19,38-39H2/b27-26+.
What are the key properties of 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine?
7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 770.03 g/mol, XLogP of 16.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 89074881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).