CID 162724348

C49H53Si — CID 162724348

IUPAC—
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](CC1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)c1ccccc1
InChIInChI=1S/C49H53Si/c1-32(2)43-30-45-40(35-23-27-37(28-24-35)49(7,8)9)17-13-19-41(45)46(43)31-50(38-15-11-10-12-16-38)47-33(3)29-44-39(18-14-20-42(44)47)34-21-25-36(26-22-34)48(4,5)6/h10-30,32,46-47H,31H2,1-9H3
InChIKeyNXTPOPXTMKVPDN-UHFFFAOYSA-N
MW670.05 g/mol
LogP12.89
Rot. Bonds7

About CID 162724348

CID 162724348 (PubChem CID 162724348) has the molecular formula C49H53Si and a molecular weight of 670.05 g/mol.

Molecular Properties

Compound NameCID 162724348
PubChem CID162724348
Molecular FormulaC49H53Si
Molecular Weight670.05 g/mol
Exact Mass669.39
IUPAC Name—
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](CC1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)c1ccccc1
InChIInChI=1S/C49H53Si/c1-32(2)43-30-45-40(35-23-27-37(28-24-35)49(7,8)9)17-13-19-41(45)46(43)31-50(38-15-11-10-12-16-38)47-33(3)29-44-39(18-14-20-42(44)47)34-21-25-36(26-22-34)48(4,5)6/h10-30,32,46-47H,31H2,1-9H3
InChIKeyNXTPOPXTMKVPDN-UHFFFAOYSA-N
XLogP12.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.05
LogP ≤ 512.89
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

CID 142753465
CID 142753465
CID 91311200
CID 91311200
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 162291107
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
CID 174294695
CID 174294695
CID 174779987
CID 174779987
6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene
CID 172772680
CID 175414627
CID 175414627
dimethyl-bis[4-(4-methylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 22994949
CID 173305494
CID 173305494
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126
5-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]-9,9-dimethyl-3-phenyl-10-propan-2-yl-9-silatricyclo[6.1.1.02,7]deca-1(10),2,4,6-tetraene
CID 173379613

Frequently Asked Questions

What is the IUPAC name of CID 162724348?
The IUPAC name of CID 162724348 (CID 162724348) is not available.
What is the SMILES notation for CID 162724348?
The canonical SMILES for CID 162724348 is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](CC1C(C(C)C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)c1ccccc1.
What is the InChIKey of CID 162724348?
The InChIKey is NXTPOPXTMKVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H53Si/c1-32(2)43-30-45-40(35-23-27-37(28-24-35)49(7,8)9)17-13-19-41(45)46(43)31-50(38-15-11-10-12-16-38)47-33(3)29-44-39(18-14-20-42(44)47)34-21-25-36(26-22-34)48(4,5)6/h10-30,32,46-47H,31H2,1-9H3.
What are the key properties of CID 162724348?
CID 162724348 has a molecular weight of 670.05 g/mol, XLogP of 12.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162724348 is sourced from PubChem (CID 162724348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).