8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene

C63H48S — CID 170206554

IUPAC8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene
SMILESCCC/C=C\C1=CC2=C(C=C(c3ccc4sc5c(c4c3)C=C(c3ccc4c(c3)C3(c6ccccc6-c6ccccc63)c3ccccc3-4)CC5)CC2)C12C1=C(CCC=C1)c1ccccc12
InChIInChI=1S/C63H48S/c1-2-3-4-15-44-34-43-27-26-41(37-58(43)62(44)53-21-10-5-16-45(53)46-17-6-11-22-54(46)62)39-29-32-60-51(35-39)52-36-40(30-33-61(52)64-60)42-28-31-50-49-20-9-14-25-57(49)63(59(50)38-42)55-23-12-7-18-47(55)48-19-8-13-24-56(48)63/h4-5,7-16,18-25,28-29,31-32,34-38H,2-3,6,17,26-27,30,33H2,1H3/b15-4-
InChIKeyBFWREKRTZOUKFJ-TVPGTPATSA-N
MW837.14 g/mol
LogP16.56
Rot. Bonds5

About 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene

8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene (PubChem CID 170206554) has the molecular formula C63H48S and a molecular weight of 837.14 g/mol. Its IUPAC name is 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene.

Molecular Properties

Compound Name8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene
PubChem CID170206554
Molecular FormulaC63H48S
Molecular Weight837.14 g/mol
Exact Mass836.35
IUPAC Name8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene
SMILESCCC/C=C\C1=CC2=C(C=C(c3ccc4sc5c(c4c3)C=C(c3ccc4c(c3)C3(c6ccccc6-c6ccccc63)c3ccccc3-4)CC5)CC2)C12C1=C(CCC=C1)c1ccccc12
InChIInChI=1S/C63H48S/c1-2-3-4-15-44-34-43-27-26-41(37-58(43)62(44)53-21-10-5-16-45(53)46-17-6-11-22-54(46)62)39-29-32-60-51(35-39)52-36-40(30-33-61(52)64-60)42-28-31-50-49-20-9-14-25-57(49)63(59(50)38-42)55-23-12-7-18-47(55)48-19-8-13-24-56(48)63/h4-5,7-16,18-25,28-29,31-32,34-38H,2-3,6,17,26-27,30,33H2,1H3/b15-4-
InChIKeyBFWREKRTZOUKFJ-TVPGTPATSA-N
XLogP16.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.14
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene with MolForge

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Related Compounds

N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-(9,9'-spirobi[3,4-dihydrofluorene]-2'-yl)-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-3,4-dihydro-2H-quinoline
CID 89110924
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-10-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanthracen-2-yl]phenazine
CID 89111089
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
ethane;(4-methylcyclohexa-2,4-dien-1-yl)benzene;2'-[4-(4-methylphenyl)phenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene];6-methyl-1,2,11,12-tetrahydrotriphenylene;propane
CID 145204090
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079

Frequently Asked Questions

What is the IUPAC name of 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene?
The IUPAC name of 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene (CID 170206554) is 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene.
What is the SMILES notation for 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene?
The canonical SMILES for 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene is CCC/C=C\C1=CC2=C(C=C(c3ccc4sc5c(c4c3)C=C(c3ccc4c(c3)C3(c6ccccc6-c6ccccc63)c3ccccc3-4)CC5)CC2)C12C1=C(CCC=C1)c1ccccc12.
What is the InChIKey of 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene?
The InChIKey is BFWREKRTZOUKFJ-TVPGTPATSA-N. The full InChI is InChI=1S/C63H48S/c1-2-3-4-15-44-34-43-27-26-41(37-58(43)62(44)53-21-10-5-16-45(53)46-17-6-11-22-54(46)62)39-29-32-60-51(35-39)52-36-40(30-33-61(52)64-60)42-28-31-50-49-20-9-14-25-57(49)63(59(50)38-42)55-23-12-7-18-47(55)48-19-8-13-24-56(48)63/h4-5,7-16,18-25,28-29,31-32,34-38H,2-3,6,17,26-27,30,33H2,1H3/b15-4-.
What are the key properties of 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene?
8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene has a molecular weight of 837.14 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2'-[(Z)-pent-1-enyl]spiro[3,4-dihydrofluorene-9,3'-6,7-dihydroindene]-5'-yl]-2-(9,9'-spirobi[fluorene]-2-yl)-3,4-dihydrodibenzothiophene is sourced from PubChem (CID 170206554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).