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

C71H59N — CID 89066725

IUPACN-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
SMILESC1=CCCC(c2c(C3CC=C(/C=C/c4ccc5c(c4)C4(Cc6ccccc6C4)C4=C5CCC(N(c5ccccc5)C5C=CC=CC5)=C4)CC3)cc(-c3ccccc3)c3c4ccccc4c4ccccc4c23)=C1
InChIInChI=1S/C71H59N/c1-5-19-50(20-6-1)65-45-64(68(52-21-7-2-8-22-52)70-63-32-18-16-30-59(63)58-29-15-17-31-62(58)69(65)70)51-38-35-48(36-39-51)33-34-49-37-41-60-61-42-40-57(72(55-25-9-3-10-26-55)56-27-11-4-12-28-56)44-67(61)71(66(60)43-49)46-53-23-13-14-24-54(53)47-71/h1-7,9-21,23-27,29-35,37,41,43-45,51,56H,8,22,28,36,38-40,42,46-47H2/b34-33+
InChIKeySORGMYUWXJZRHU-JEIPZWNWSA-N
MW926.26 g/mol
LogP18.33
Rot. Bonds8

About 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

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 (PubChem CID 89066725) has the molecular formula C71H59N and a molecular weight of 926.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID89066725
Molecular FormulaC71H59N
Molecular Weight926.26 g/mol
Exact Mass925.46
IUPAC NameN-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
SMILESC1=CCCC(c2c(C3CC=C(/C=C/c4ccc5c(c4)C4(Cc6ccccc6C4)C4=C5CCC(N(c5ccccc5)C5C=CC=CC5)=C4)CC3)cc(-c3ccccc3)c3c4ccccc4c4ccccc4c23)=C1
InChIInChI=1S/C71H59N/c1-5-19-50(20-6-1)65-45-64(68(52-21-7-2-8-22-52)70-63-32-18-16-30-59(63)58-29-15-17-31-62(58)69(65)70)51-38-35-48(36-39-51)33-34-49-37-41-60-61-42-40-57(72(55-25-9-3-10-26-55)56-27-11-4-12-28-56)44-67(61)71(66(60)43-49)46-53-23-13-14-24-54(53)47-71/h1-7,9-21,23-27,29-35,37,41,43-45,51,56H,8,22,28,36,38-40,42,46-47H2/b34-33+
InChIKeySORGMYUWXJZRHU-JEIPZWNWSA-N
XLogP18.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.26
LogP ≤ 518.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
N-cyclohexa-2,4-dien-1-yl-7-[(E)-2-[4-[(E)-2-[4-[4-(cyclohexa-1,3-dien-1-yl-cyclohexa-1,5-dien-1-yl-phenylmethyl)phenyl]phenyl]ethenyl]phenyl]ethenyl]-9,9-diethyl-N-phenyl-5,6-dihydrofluoren-2-amine
CID 89067284
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
CID 89104631
CID 89104631
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-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067131
2-N,7-N-di(cyclohexa-1,3-dien-1-yl)-7-N-cyclohexa-2,4-dien-1-yl-2-N,2-N',2-N',7-N',7-N'-pentakis-phenyl-9,9'-spirobi[3,4,5,6-tetrahydrofluorene]-2,2',7,7'-tetramine
CID 168834129
4-[4-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-10-phenanthren-9-yl-3-phenyltriphenylen-1-yl]-N,N-diphenylaniline
CID 89083595
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 155371764
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-N-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 166978725
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCCC(c2c(C3CC=C(/C=C/c4ccc5c(c4)C4(Cc6ccccc6C4)C4=C5CCC(N(c5ccccc5)C5C=CC=CC5)=C4)CC3)cc(-c3ccccc3)c3c4ccccc4c4ccccc4c23)=C1.
What is the InChIKey of 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?
The InChIKey is SORGMYUWXJZRHU-JEIPZWNWSA-N. The full InChI is InChI=1S/C71H59N/c1-5-19-50(20-6-1)65-45-64(68(52-21-7-2-8-22-52)70-63-32-18-16-30-59(63)58-29-15-17-31-62(58)69(65)70)51-38-35-48(36-39-51)33-34-49-37-41-60-61-42-40-57(72(55-25-9-3-10-26-55)56-27-11-4-12-28-56)44-67(61)71(66(60)43-49)46-53-23-13-14-24-54(53)47-71/h1-7,9-21,23-27,29-35,37,41,43-45,51,56H,8,22,28,36,38-40,42,46-47H2/b34-33+.
What are the key properties of 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?
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 has a molecular weight of 926.26 g/mol, XLogP of 18.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89066725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).