bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane

C52H44Si — CID 23510663

IUPACbis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane
SMILESCCC1=C(c2cccc3ccc4ccccc4c23)c2c(cccc2[Si](C)(C)c2cccc3c2C(c2cccc4ccc5ccccc5c24)=C(CC)C3)C1
InChIInChI=1S/C52H44Si/c1-5-33-31-39-19-13-25-45(51(39)49(33)43-23-11-17-37-29-27-35-15-7-9-21-41(35)47(37)43)53(3,4)46-26-14-20-40-32-34(6-2)50(52(40)46)44-24-12-18-38-30-28-36-16-8-10-22-42(36)48(38)44/h7-30H,5-6,31-32H2,1-4H3
InChIKeyLNDPRQRHBZSGLZ-UHFFFAOYSA-N
MW697.01 g/mol
LogP12.66
Rot. Bonds6

About bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane

bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane (PubChem CID 23510663) has the molecular formula C52H44Si and a molecular weight of 697.01 g/mol. Its IUPAC name is bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane
PubChem CID23510663
Molecular FormulaC52H44Si
Molecular Weight697.01 g/mol
Exact Mass696.32
IUPAC Namebis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane
SMILESCCC1=C(c2cccc3ccc4ccccc4c23)c2c(cccc2[Si](C)(C)c2cccc3c2C(c2cccc4ccc5ccccc5c24)=C(CC)C3)C1
InChIInChI=1S/C52H44Si/c1-5-33-31-39-19-13-25-45(51(39)49(33)43-23-11-17-37-29-27-35-15-7-9-21-41(35)47(37)43)53(3,4)46-26-14-20-40-32-34(6-2)50(52(40)46)44-24-12-18-38-30-28-36-16-8-10-22-42(36)48(38)44/h7-30H,5-6,31-32H2,1-4H3
InChIKeyLNDPRQRHBZSGLZ-UHFFFAOYSA-N
XLogP12.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.01
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl-bis(2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-phenylsilane
CID 19078450
21-ethyl-8-oxapentacyclo[11.8.1.02,7.09,22.014,19]docosa-1(21),2,4,6,9,11,13(22),14,16,18-decaene
CID 123217224
7-methylpentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 160819244
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
10-benzo[c]carbazol-7-yl-7-[4-ethyl-3-(3-naphthalen-1-ylphenyl)-5H-1-benzazepin-2-yl]benzo[c]carbazole
CID 166722837
hydroxy-tri(phenanthren-4-yl)silane
CID 15936214
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
24-ethyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 134464184
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine
CID 158504625
bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
CID 87558709

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane?
The IUPAC name of bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane (CID 23510663) is bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane.
What is the SMILES notation for bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane?
The canonical SMILES for bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane is CCC1=C(c2cccc3ccc4ccccc4c23)c2c(cccc2[Si](C)(C)c2cccc3c2C(c2cccc4ccc5ccccc5c24)=C(CC)C3)C1.
What is the InChIKey of bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane?
The InChIKey is LNDPRQRHBZSGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44Si/c1-5-33-31-39-19-13-25-45(51(39)49(33)43-23-11-17-37-29-27-35-15-7-9-21-41(35)47(37)43)53(3,4)46-26-14-20-40-32-34(6-2)50(52(40)46)44-24-12-18-38-30-28-36-16-8-10-22-42(36)48(38)44/h7-30H,5-6,31-32H2,1-4H3.
What are the key properties of bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane?
bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane has a molecular weight of 697.01 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-3-phenanthren-4-yl-1H-inden-4-yl)-dimethylsilane is sourced from PubChem (CID 23510663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).