N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine

C47H37N — CID 145158280

IUPACN-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine
SMILESC=C(/N=C(\C)c1ccc2c(c1)C1(C3=CCCC=C32)C2=C(C=CCC2)c2ccccc21)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C47H37N/c1-31(48-32(2)36-27-37(33-15-5-3-6-16-33)29-38(28-36)34-17-7-4-8-18-34)35-25-26-42-41-21-11-14-24-45(41)47(46(42)30-35)43-22-12-9-19-39(43)40-20-10-13-23-44(40)47/h3-10,12,15-22,24-30H,2,11,13-14,23H2,1H3/b48-31+
InChIKeyHTGXZOJBLFWATN-GKOACKCWSA-N
MW615.82 g/mol
LogP12.02
Rot. Bonds5

About N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine

N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine (PubChem CID 145158280) has the molecular formula C47H37N and a molecular weight of 615.82 g/mol. Its IUPAC name is N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine.

Molecular Properties

Compound NameN-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine
PubChem CID145158280
Molecular FormulaC47H37N
Molecular Weight615.82 g/mol
Exact Mass615.29
IUPAC NameN-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine
SMILESC=C(/N=C(\C)c1ccc2c(c1)C1(C3=CCCC=C32)C2=C(C=CCC2)c2ccccc21)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C47H37N/c1-31(48-32(2)36-27-37(33-15-5-3-6-16-33)29-38(28-36)34-17-7-4-8-18-34)35-25-26-42-41-21-11-14-24-45(41)47(46(42)30-35)43-22-12-9-19-39(43)40-20-10-13-23-44(40)47/h3-10,12,15-22,24-30H,2,11,13-14,23H2,1H3/b48-31+
InChIKeyHTGXZOJBLFWATN-GKOACKCWSA-N
XLogP12.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
CID 163579355
N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide
CID 146384812
7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 142521254
4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155442879
6-ethyl-5-methyl-3-[4-(4-phenyl-N-spiro[1,2-dihydrofluorene-9,11'-benzo[a]fluorene]-9'-ylanilino)phenyl]benzene-1,2,4-triol
CID 145137928
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine?
The IUPAC name of N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine (CID 145158280) is N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine.
What is the SMILES notation for N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine?
The canonical SMILES for N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine is C=C(/N=C(\C)c1ccc2c(c1)C1(C3=CCCC=C32)C2=C(C=CCC2)c2ccccc21)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine?
The InChIKey is HTGXZOJBLFWATN-GKOACKCWSA-N. The full InChI is InChI=1S/C47H37N/c1-31(48-32(2)36-27-37(33-15-5-3-6-16-33)29-38(28-36)34-17-7-4-8-18-34)35-25-26-42-41-21-11-14-24-45(41)47(46(42)30-35)43-22-12-9-19-39(43)40-20-10-13-23-44(40)47/h3-10,12,15-22,24-30H,2,11,13-14,23H2,1H3/b48-31+.
What are the key properties of N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine?
N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine has a molecular weight of 615.82 g/mol, XLogP of 12.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-diphenylphenyl)ethenyl]-1-spiro[1,2-dihydrofluorene-9,9'-6,7-dihydrofluorene]-2'-ylethanimine is sourced from PubChem (CID 145158280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).