1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]

C37H31Cl — CID 166825100

IUPAC1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
SMILESCC/C=C\C1=C(c2ccc(-c3ccc(Cl)cc3)cc2)C2(C3=C1C=CCC3)C1=C(C=CCC1)c1ccccc12
InChIInChI=1S/C37H31Cl/c1-2-3-10-32-31-13-6-9-16-35(31)37(33-14-7-4-11-29(33)30-12-5-8-15-34(30)37)36(32)27-19-17-25(18-20-27)26-21-23-28(38)24-22-26/h3-7,10-14,17-24H,2,8-9,15-16H2,1H3/b10-3-
InChIKeyOKWKAJSGOFOQME-KMKOMSMNSA-N
MW511.11 g/mol
LogP10.44
Rot. Bonds4

About 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]

1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] (PubChem CID 166825100) has the molecular formula C37H31Cl and a molecular weight of 511.11 g/mol. Its IUPAC name is 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene].

Molecular Properties

Compound Name1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
PubChem CID166825100
Molecular FormulaC37H31Cl
Molecular Weight511.11 g/mol
Exact Mass510.21
IUPAC Name1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
SMILESCC/C=C\C1=C(c2ccc(-c3ccc(Cl)cc3)cc2)C2(C3=C1C=CCC3)C1=C(C=CCC1)c1ccccc12
InChIInChI=1S/C37H31Cl/c1-2-3-10-32-31-13-6-9-16-35(31)37(33-14-7-4-11-29(33)30-12-5-8-15-34(30)37)36(32)27-19-17-25(18-20-27)26-21-23-28(38)24-22-26/h3-7,10-14,17-24H,2,8-9,15-16H2,1H3/b10-3-
InChIKeyOKWKAJSGOFOQME-KMKOMSMNSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.11
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] with MolForge

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Related Compounds

7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 142521254
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene
CID 144639750
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 156558420
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 123261989

Frequently Asked Questions

What is the IUPAC name of 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
The IUPAC name of 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] (CID 166825100) is 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene].
What is the SMILES notation for 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
The canonical SMILES for 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] is CC/C=C\C1=C(c2ccc(-c3ccc(Cl)cc3)cc2)C2(C3=C1C=CCC3)C1=C(C=CCC1)c1ccccc12.
What is the InChIKey of 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
The InChIKey is OKWKAJSGOFOQME-KMKOMSMNSA-N. The full InChI is InChI=1S/C37H31Cl/c1-2-3-10-32-31-13-6-9-16-35(31)37(33-14-7-4-11-29(33)30-12-5-8-15-34(30)37)36(32)27-19-17-25(18-20-27)26-21-23-28(38)24-22-26/h3-7,10-14,17-24H,2,8-9,15-16H2,1H3/b10-3-.
What are the key properties of 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]?
1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] has a molecular weight of 511.11 g/mol, XLogP of 10.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene] is sourced from PubChem (CID 166825100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).