bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane

C28H24Si — CID 101485886

IUPACbis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
SMILESC[Si](C)([C@H]1C=Cc2c1ccc1ccccc21)[C@H]1C=Cc2c1ccc1ccccc21
InChIInChI=1S/C28H24Si/c1-29(2,27-17-15-23-21-9-5-3-7-19(21)11-13-25(23)27)28-18-16-24-22-10-6-4-8-20(22)12-14-26(24)28/h3-18,27-28H,1-2H3/t27-,28-/m0/s1
InChIKeyMEJHEJGRAHMQRS-NSOVKSMOSA-N
MW388.59 g/mol
LogP7.70
Rot. Bonds2

About bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane

bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane (PubChem CID 101485886) has the molecular formula C28H24Si and a molecular weight of 388.59 g/mol. Its IUPAC name is bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
PubChem CID101485886
Molecular FormulaC28H24Si
Molecular Weight388.59 g/mol
Exact Mass388.16
IUPAC Namebis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
SMILESC[Si](C)([C@H]1C=Cc2c1ccc1ccccc21)[C@H]1C=Cc2c1ccc1ccccc21
InChIInChI=1S/C28H24Si/c1-29(2,27-17-15-23-21-9-5-3-7-19(21)11-13-25(23)27)28-18-16-24-22-10-6-4-8-20(22)12-14-26(24)28/h3-18,27-28H,1-2H3/t27-,28-/m0/s1
InChIKeyMEJHEJGRAHMQRS-NSOVKSMOSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.59
LogP ≤ 57.70
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

bis[(3R)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485885
dimethyl-bis(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silane;dimethyl-bis(4-naphthalen-1-yl-1H-inden-1-yl)silane
CID 161108029
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
CID 617108
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
14H-cyclopenta[a]phenanthrene
CID 18702387
(2-ethyl-4-phenanthren-9-yl-1H-inden-1-yl)-dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silane
CID 139765203
1,1-dimethyl-3,4,4a,12a-tetrahydro-2H-chrysene
CID 174859891
ethane;9-methyl-9H-cyclohepta[a]naphthalene
CID 143739636
N-(2,4,4a,12a-tetrahydro-1H-chrysen-3-ylidene)hydroxylamine
CID 174852254
2-(4-chlorophenyl)-4-iodo-2-methyl-3,4,4a,12a-tetrahydro-1H-chrysene
CID 175304912
dilithium;2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane;3H-cyclopenta[a]naphthalen-3-yl-dimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane;trimethyl-(3-pentan-2-yl-1H-inden-1-yl)silane
CID 162289965

Frequently Asked Questions

What is the IUPAC name of bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane?
The IUPAC name of bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane (CID 101485886) is bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane.
What is the SMILES notation for bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane?
The canonical SMILES for bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane is C[Si](C)([C@H]1C=Cc2c1ccc1ccccc21)[C@H]1C=Cc2c1ccc1ccccc21.
What is the InChIKey of bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane?
The InChIKey is MEJHEJGRAHMQRS-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H24Si/c1-29(2,27-17-15-23-21-9-5-3-7-19(21)11-13-25(23)27)28-18-16-24-22-10-6-4-8-20(22)12-14-26(24)28/h3-18,27-28H,1-2H3/t27-,28-/m0/s1.
What are the key properties of bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane?
bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane has a molecular weight of 388.59 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane is sourced from PubChem (CID 101485886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).