1,1-bis(9H-fluoren-9-yl)siletane

C29H24Si — CID 102265958

IUPAC1,1-bis(9H-fluoren-9-yl)siletane
SMILESc1ccc2c(c1)-c1ccccc1C2[Si]1(C2c3ccccc3-c3ccccc32)CCC1
InChIInChI=1S/C29H24Si/c1-5-14-24-20(10-1)21-11-2-6-15-25(21)28(24)30(18-9-19-30)29-26-16-7-3-12-22(26)23-13-4-8-17-27(23)29/h1-8,10-17,28-29H,9,18-19H2
InChIKeyIBXHFYPKMBQZIZ-UHFFFAOYSA-N
MW400.60 g/mol
LogP7.54
Rot. Bonds2

About 1,1-bis(9H-fluoren-9-yl)siletane

1,1-bis(9H-fluoren-9-yl)siletane (PubChem CID 102265958) has the molecular formula C29H24Si and a molecular weight of 400.60 g/mol. Its IUPAC name is 1,1-bis(9H-fluoren-9-yl)siletane.

Molecular Properties

Compound Name1,1-bis(9H-fluoren-9-yl)siletane
PubChem CID102265958
Molecular FormulaC29H24Si
Molecular Weight400.60 g/mol
Exact Mass400.16
IUPAC Name1,1-bis(9H-fluoren-9-yl)siletane
SMILESc1ccc2c(c1)-c1ccccc1C2[Si]1(C2c3ccccc3-c3ccccc32)CCC1
InChIInChI=1S/C29H24Si/c1-5-14-24-20(10-1)21-11-2-6-15-25(21)28(24)30(18-9-19-30)29-26-16-7-3-12-22(26)23-13-4-8-17-27(23)29/h1-8,10-17,28-29H,9,18-19H2
InChIKeyIBXHFYPKMBQZIZ-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-9-yl)-1-methylsiletane
CID 18512845
1-(9H-fluoren-9-yl)-1-methylsilinane
CID 102018877
bis(1-(1,9-dihydrofluoren-1-id-9-yl)-1-propylsiletane);zirconium(2+)
CID 18513112
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
tetrakis(1-butyl-1-(1,9-dihydrofluoren-1-id-9-yl)siletane);bis(titanium(2+));dichloride
CID 18512956
9-fluoro-9H-fluorene
CID 12685099
N,2,4-trimethyl-2-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-2-amine
CID 11044145
heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-3,5,7,9,11,13,18,20,22,24,26,28-dodecaene
CID 20588402
8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
CID 11135759
4-(9H-fluoren-9-yl)-6,6-dimethyl-6-silabicyclo[3.1.0]hexa-1(5),2-diene
CID 56997725
(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
9-deuterio-9-methylfluorene
CID 169301704

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(9H-fluoren-9-yl)siletane?
The IUPAC name of 1,1-bis(9H-fluoren-9-yl)siletane (CID 102265958) is 1,1-bis(9H-fluoren-9-yl)siletane.
What is the SMILES notation for 1,1-bis(9H-fluoren-9-yl)siletane?
The canonical SMILES for 1,1-bis(9H-fluoren-9-yl)siletane is c1ccc2c(c1)-c1ccccc1C2[Si]1(C2c3ccccc3-c3ccccc32)CCC1.
What is the InChIKey of 1,1-bis(9H-fluoren-9-yl)siletane?
The InChIKey is IBXHFYPKMBQZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Si/c1-5-14-24-20(10-1)21-11-2-6-15-25(21)28(24)30(18-9-19-30)29-26-16-7-3-12-22(26)23-13-4-8-17-27(23)29/h1-8,10-17,28-29H,9,18-19H2.
What are the key properties of 1,1-bis(9H-fluoren-9-yl)siletane?
1,1-bis(9H-fluoren-9-yl)siletane has a molecular weight of 400.60 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(9H-fluoren-9-yl)siletane is sourced from PubChem (CID 102265958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).