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

C64H53N — CID 89066714

IUPACN-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
SMILESC1=CC(N(c2ccccc2)c2ccc3c(c2)C2(CCCCC2)C2=C3CCC(/C=C/c3ccc4cc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)cc6c5)ccc4c3)=C2)=CCC1
InChIInChI=1S/C64H53N/c1-6-16-47(17-7-1)60-42-53-32-31-52(41-54(53)43-61(60)48-18-8-2-9-19-48)51-30-29-49-38-45(26-28-50(49)40-51)24-25-46-27-34-58-59-35-33-57(44-63(59)64(62(58)39-46)36-14-5-15-37-64)65(55-20-10-3-11-21-55)56-22-12-4-13-23-56/h1-3,6-12,16-26,28-33,35,38-44H,4-5,13-15,27,34,36-37H2/b25-24+
InChIKeyUPHVOPFVJBJXPN-OCOZRVBESA-N
MW836.14 g/mol
LogP17.77
Rot. Bonds8

About 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

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 (PubChem CID 89066714) has the molecular formula C64H53N and a molecular weight of 836.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID89066714
Molecular FormulaC64H53N
Molecular Weight836.14 g/mol
Exact Mass835.42
IUPAC NameN-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
SMILESC1=CC(N(c2ccccc2)c2ccc3c(c2)C2(CCCCC2)C2=C3CCC(/C=C/c3ccc4cc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)cc6c5)ccc4c3)=C2)=CCC1
InChIInChI=1S/C64H53N/c1-6-16-47(17-7-1)60-42-53-32-31-52(41-54(53)43-61(60)48-18-8-2-9-19-48)51-30-29-49-38-45(26-28-50(49)40-51)24-25-46-27-34-58-59-35-33-57(44-63(59)64(62(58)39-46)36-14-5-15-37-64)65(55-20-10-3-11-21-55)56-22-12-4-13-23-56/h1-3,6-12,16-26,28-33,35,38-44H,4-5,13-15,27,34,36-37H2/b25-24+
InChIKeyUPHVOPFVJBJXPN-OCOZRVBESA-N
XLogP17.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.14
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 145410466
7-(N-cyclohexa-1,5-dien-1-ylanilino)-9,9-dimethyl-3,4-dihydrofluorene-2-carbaldehyde
CID 89067073
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-[(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
7'-[(E)-2-[7-(dinaphthalen-2-ylamino)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl]ethenyl]-N,N-dinaphthalen-2-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 89335584
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-[4-[2-(4-tert-butylphenyl)-6-phenylphenyl]phenyl]ethenyl]-9,9-diethyl-N,N-diphenyl-5,6-dihydrofluoren-2-amine
CID 89067020
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
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-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116295
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
9,9-dimethyl-N,N-diphenyl-7-[(E)-2-[4-[(E)-2-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]ethenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067263

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(N(c2ccccc2)c2ccc3c(c2)C2(CCCCC2)C2=C3CCC(/C=C/c3ccc4cc(-c5ccc6cc(-c7ccccc7)c(-c7ccccc7)cc6c5)ccc4c3)=C2)=CCC1.
What is the InChIKey of 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?
The InChIKey is UPHVOPFVJBJXPN-OCOZRVBESA-N. The full InChI is InChI=1S/C64H53N/c1-6-16-47(17-7-1)60-42-53-32-31-52(41-54(53)43-61(60)48-18-8-2-9-19-48)51-30-29-49-38-45(26-28-50(49)40-51)24-25-46-27-34-58-59-35-33-57(44-63(59)64(62(58)39-46)36-14-5-15-37-64)65(55-20-10-3-11-21-55)56-22-12-4-13-23-56/h1-3,6-12,16-26,28-33,35,38-44H,4-5,13-15,27,34,36-37H2/b25-24+.
What are the key properties of 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?
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 has a molecular weight of 836.14 g/mol, XLogP of 17.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89066714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).