4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline

C91H67N — CID 89335570

IUPAC4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline
SMILESC1=CCC2C(=C1)c1ccccc1C21c2cc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)ccc2-c2ccc(C3=CC=C(CC(Cc4ccccc4)c4ccccc4)CC3)cc21
InChIInChI=1S/C91H67N/c1-5-21-61(22-6-1)55-70(65-23-7-2-8-24-65)56-62-39-43-66(44-40-62)68-47-53-80-78-51-41-63(57-86(78)90(88(80)59-68)82-33-17-13-29-74(82)75-30-14-18-34-83(75)90)37-38-64-42-52-79-81-54-48-69(67-45-49-73(50-46-67)92(71-25-9-3-10-26-71)72-27-11-4-12-28-72)60-89(81)91(87(79)58-64)84-35-19-15-31-76(84)77-32-16-20-36-85(77)91/h1-33,35-39,41-43,45-54,57-60,70,83H,34,40,44,55-56H2/b38-37+
InChIKeyCPXRDYVRYMTDFA-HEFFKOSUSA-N
MW1174.54 g/mol
LogP23.15
Rot. Bonds12

About 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline

4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline (PubChem CID 89335570) has the molecular formula C91H67N and a molecular weight of 1174.54 g/mol. Its IUPAC name is 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline
PubChem CID89335570
Molecular FormulaC91H67N
Molecular Weight1174.54 g/mol
Exact Mass1173.53
IUPAC Name4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline
SMILESC1=CCC2C(=C1)c1ccccc1C21c2cc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)ccc2-c2ccc(C3=CC=C(CC(Cc4ccccc4)c4ccccc4)CC3)cc21
InChIInChI=1S/C91H67N/c1-5-21-61(22-6-1)55-70(65-23-7-2-8-24-65)56-62-39-43-66(44-40-62)68-47-53-80-78-51-41-63(57-86(78)90(88(80)59-68)82-33-17-13-29-74(82)75-30-14-18-34-83(75)90)37-38-64-42-52-79-81-54-48-69(67-45-49-73(50-46-67)92(71-25-9-3-10-26-71)72-27-11-4-12-28-72)60-89(81)91(87(79)58-64)84-35-19-15-31-76(84)77-32-16-20-36-85(77)91/h1-33,35-39,41-43,45-54,57-60,70,83H,34,40,44,55-56H2/b38-37+
InChIKeyCPXRDYVRYMTDFA-HEFFKOSUSA-N
XLogP23.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.54
LogP ≤ 523.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279417
4-[4-[4-(1,2-diphenylethyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline
CID 123435788
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
CID 163547674
N,N-diphenyl-4-[(E)-2-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylphenyl)ethenyl]aniline
CID 102596367
4-(4-ethenylphenyl)-N-[4-(4-ethenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 177116950
1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine
CID 123911645
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
CID 90164601
2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
1-N,3-N-bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-N,3-N-bis[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzene-1,3-diamine
CID 170152967

Frequently Asked Questions

What is the IUPAC name of 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline (CID 89335570) is 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline is C1=CCC2C(=C1)c1ccccc1C21c2cc(/C=C/c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3-4)ccc2-c2ccc(C3=CC=C(CC(Cc4ccccc4)c4ccccc4)CC3)cc21.
What is the InChIKey of 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline?
The InChIKey is CPXRDYVRYMTDFA-HEFFKOSUSA-N. The full InChI is InChI=1S/C91H67N/c1-5-21-61(22-6-1)55-70(65-23-7-2-8-24-65)56-62-39-43-66(44-40-62)68-47-53-80-78-51-41-63(57-86(78)90(88(80)59-68)82-33-17-13-29-74(82)75-30-14-18-34-83(75)90)37-38-64-42-52-79-81-54-48-69(67-45-49-73(50-46-67)92(71-25-9-3-10-26-71)72-27-11-4-12-28-72)60-89(81)91(87(79)58-64)84-35-19-15-31-76(84)77-32-16-20-36-85(77)91/h1-33,35-39,41-43,45-54,57-60,70,83H,34,40,44,55-56H2/b38-37+.
What are the key properties of 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline?
4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline has a molecular weight of 1174.54 g/mol, XLogP of 23.15, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7'-[(E)-2-[7'-[4-(2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]spiro[1,9a-dihydrofluorene-9,9'-fluorene]-2'-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]-N,N-diphenylaniline is sourced from PubChem (CID 89335570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).