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

C73H55NS — CID 89067259

IUPAC7-[(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
SMILESC1=C(/C=C/c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)c5c6ccccc6c6ccccc6c5c4-c4ccccc4)s3)cc2)CCC2=C1C1(CCCC1)c1cc(N(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C73H55NS/c1-5-19-53(20-6-1)65-49-66(70(54-21-7-2-8-22-54)72-64-30-16-14-28-60(64)59-27-13-15-29-63(59)71(65)72)69-44-41-58(75-69)40-37-51-33-31-50(32-34-51)35-36-52-38-42-61-62-43-39-57(48-68(62)73(67(61)47-52)45-17-18-46-73)74(55-23-9-3-10-24-55)56-25-11-4-12-26-56/h1-16,19-37,39-41,43-44,47-49H,17-18,38,42,45-46H2/b36-35+,40-37+
InChIKeyYMDQUJFEAKBROT-YNAQPNJISA-N
MW978.32 g/mol
LogP20.86
Rot. Bonds10

About 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

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 (PubChem CID 89067259) has the molecular formula C73H55NS and a molecular weight of 978.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID89067259
Molecular FormulaC73H55NS
Molecular Weight978.32 g/mol
Exact Mass977.41
IUPAC Name7-[(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
SMILESC1=C(/C=C/c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)c5c6ccccc6c6ccccc6c5c4-c4ccccc4)s3)cc2)CCC2=C1C1(CCCC1)c1cc(N(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C73H55NS/c1-5-19-53(20-6-1)65-49-66(70(54-21-7-2-8-22-54)72-64-30-16-14-28-60(64)59-27-13-15-29-63(59)71(65)72)69-44-41-58(75-69)40-37-51-33-31-50(32-34-51)35-36-52-38-42-61-62-43-39-57(48-68(62)73(67(61)47-52)45-17-18-46-73)74(55-23-9-3-10-24-55)56-25-11-4-12-26-56/h1-16,19-37,39-41,43-44,47-49H,17-18,38,42,45-46H2/b36-35+,40-37+
InChIKeyYMDQUJFEAKBROT-YNAQPNJISA-N
XLogP20.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.32
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
N-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)-3,4-dihydrofluoren-2-yl]ethenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89189714
7'-[(E)-2-[6-(9,10-diphenylphenanthren-3-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylspiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 89075150
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
N,N-diphenyl-4-[(E)-2-[5-[4-[5-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]ethenyl]aniline
CID 102516014
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
6-cyclohexa-1,5-dien-1-yl-5,8-diphenyl-N,N-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)triphenylen-2-amine
CID 89083927
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
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(/C=C/c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)c5c6ccccc6c6ccccc6c5c4-c4ccccc4)s3)cc2)CCC2=C1C1(CCCC1)c1cc(N(c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of 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?
The InChIKey is YMDQUJFEAKBROT-YNAQPNJISA-N. The full InChI is InChI=1S/C73H55NS/c1-5-19-53(20-6-1)65-49-66(70(54-21-7-2-8-22-54)72-64-30-16-14-28-60(64)59-27-13-15-29-63(59)71(65)72)69-44-41-58(75-69)40-37-51-33-31-50(32-34-51)35-36-52-38-42-61-62-43-39-57(48-68(62)73(67(61)47-52)45-17-18-46-73)74(55-23-9-3-10-24-55)56-25-11-4-12-26-56/h1-16,19-37,39-41,43-44,47-49H,17-18,38,42,45-46H2/b36-35+,40-37+.
What are the key properties of 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?
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 has a molecular weight of 978.32 g/mol, XLogP of 20.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89067259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).