7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine

C63H49N — CID 89066735

IUPAC7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine
SMILESC1=Cc2c(-c3ccccc3)cc(-c3ccc(/C=C/c4ccc5c(c4)C4(Cc6ccccc6C4)C4=C5CCC(N(c5ccccc5)c5ccccc5)=C4)cc3)c(-c3ccccc3)c2CC1
InChIInChI=1S/C63H49N/c1-5-17-46(18-6-1)58-41-59(62(48-19-7-2-8-20-48)57-28-16-15-27-54(57)58)47-34-31-44(32-35-47)29-30-45-33-37-55-56-38-36-53(64(51-23-9-3-10-24-51)52-25-11-4-12-26-52)40-61(56)63(60(55)39-45)42-49-21-13-14-22-50(49)43-63/h1-15,17-27,29-35,37,39-41H,16,28,36,38,42-43H2/b30-29+
InChIKeyUMKJOLNEFBBOCW-QVIHXGFCSA-N
MW820.09 g/mol
LogP16.14
Rot. Bonds8

About 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine

7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine (PubChem CID 89066735) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine.

Molecular Properties

Compound Name7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine
PubChem CID89066735
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC Name7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine
SMILESC1=Cc2c(-c3ccccc3)cc(-c3ccc(/C=C/c4ccc5c(c4)C4(Cc6ccccc6C4)C4=C5CCC(N(c5ccccc5)c5ccccc5)=C4)cc3)c(-c3ccccc3)c2CC1
InChIInChI=1S/C63H49N/c1-5-17-46(18-6-1)58-41-59(62(48-19-7-2-8-20-48)57-28-16-15-27-54(57)58)47-34-31-44(32-35-47)29-30-45-33-37-55-56-38-36-53(64(51-23-9-3-10-24-51)52-25-11-4-12-26-52)40-61(56)63(60(55)39-45)42-49-21-13-14-22-50(49)43-63/h1-15,17-27,29-35,37,39-41H,16,28,36,38,42-43H2/b30-29+
InChIKeyUMKJOLNEFBBOCW-QVIHXGFCSA-N
XLogP16.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.09
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine with MolForge

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Related Compounds

7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 89074839
N-cyclohexa-2,4-dien-1-yl-7'-[(E)-2-[4-(1-cyclohexa-1,3-dien-1-yl-4-phenyltriphenylen-2-yl)cyclohexen-1-yl]ethenyl]-N-phenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine
CID 89066725
N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline
CID 143983916
N-cyclohexa-1,5-dien-1-yl-7-[(E)-2-[6-(6,7-diphenylnaphthalen-2-yl)naphthalen-2-yl]ethenyl]-N-phenylspiro[5,6-dihydrofluorene-9,1'-cyclohexane]-2-amine
CID 89066714
9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine
CID 144809799
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
7-[(E)-2-[4-[(E)-2-[5-(1,4-diphenyltriphenylen-2-yl)thiophen-2-yl]ethenyl]phenyl]ethenyl]-N,N-diphenylspiro[5,6-dihydrofluorene-9,1'-cyclopentane]-2-amine
CID 89067259
N-cyclohexa-1,3-dien-1-yl-7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89049784
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
7-[(E)-2-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine
CID 89067020
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350

Frequently Asked Questions

What is the IUPAC name of 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine?
The IUPAC name of 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine (CID 89066735) is 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine.
What is the SMILES notation for 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine?
The canonical SMILES for 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine is C1=Cc2c(-c3ccccc3)cc(-c3ccc(/C=C/c4ccc5c(c4)C4(Cc6ccccc6C4)C4=C5CCC(N(c5ccccc5)c5ccccc5)=C4)cc3)c(-c3ccccc3)c2CC1.
What is the InChIKey of 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine?
The InChIKey is UMKJOLNEFBBOCW-QVIHXGFCSA-N. The full InChI is InChI=1S/C63H49N/c1-5-17-46(18-6-1)58-41-59(62(48-19-7-2-8-20-48)57-28-16-15-27-54(57)58)47-34-31-44(32-35-47)29-30-45-33-37-55-56-38-36-53(64(51-23-9-3-10-24-51)52-25-11-4-12-26-52)40-61(56)63(60(55)39-45)42-49-21-13-14-22-50(49)43-63/h1-15,17-27,29-35,37,39-41H,16,28,36,38,42-43H2/b30-29+.
What are the key properties of 7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine?
7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine has a molecular weight of 820.09 g/mol, XLogP of 16.14, 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-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine is sourced from PubChem (CID 89066735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).