CID 173474861

C60H51Si — CID 173474861

IUPAC—
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)cc([Si](c3cc(-c4cccc(C)c4)cc(-c4cccc(C)c4)c3)c3cc(-c4cccc(C)c4)cc(-c4cccc(C)c4)c3)c2)c1
InChIInChI=1S/C60H51Si/c1-40-13-7-19-46(25-40)52-31-53(47-20-8-14-41(2)26-47)35-58(34-52)61(59-36-54(48-21-9-15-42(3)27-48)32-55(37-59)49-22-10-16-43(4)28-49)60-38-56(50-23-11-17-44(5)29-50)33-57(39-60)51-24-12-18-45(6)30-51/h7-39H,1-6H3
InChIKeyRYGLTBVJCONPFZ-UHFFFAOYSA-N
MW800.15 g/mol
LogP14.06
Rot. Bonds9

About CID 173474861

CID 173474861 (PubChem CID 173474861) has the molecular formula C60H51Si and a molecular weight of 800.15 g/mol.

Molecular Properties

Compound NameCID 173474861
PubChem CID173474861
Molecular FormulaC60H51Si
Molecular Weight800.15 g/mol
Exact Mass799.38
IUPAC Name—
SMILESCc1cccc(-c2cc(-c3cccc(C)c3)cc([Si](c3cc(-c4cccc(C)c4)cc(-c4cccc(C)c4)c3)c3cc(-c4cccc(C)c4)cc(-c4cccc(C)c4)c3)c2)c1
InChIInChI=1S/C60H51Si/c1-40-13-7-19-46(25-40)52-31-53(47-20-8-14-41(2)26-47)35-58(34-52)61(59-36-54(48-21-9-15-42(3)27-48)32-55(37-59)49-22-10-16-43(4)28-49)60-38-56(50-23-11-17-44(5)29-50)33-57(39-60)51-24-12-18-45(6)30-51/h7-39H,1-6H3
InChIKeyRYGLTBVJCONPFZ-UHFFFAOYSA-N
XLogP14.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.15
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523

Frequently Asked Questions

What is the IUPAC name of CID 173474861?
The IUPAC name of CID 173474861 (CID 173474861) is not available.
What is the SMILES notation for CID 173474861?
The canonical SMILES for CID 173474861 is Cc1cccc(-c2cc(-c3cccc(C)c3)cc([Si](c3cc(-c4cccc(C)c4)cc(-c4cccc(C)c4)c3)c3cc(-c4cccc(C)c4)cc(-c4cccc(C)c4)c3)c2)c1.
What is the InChIKey of CID 173474861?
The InChIKey is RYGLTBVJCONPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51Si/c1-40-13-7-19-46(25-40)52-31-53(47-20-8-14-41(2)26-47)35-58(34-52)61(59-36-54(48-21-9-15-42(3)27-48)32-55(37-59)49-22-10-16-43(4)28-49)60-38-56(50-23-11-17-44(5)29-50)33-57(39-60)51-24-12-18-45(6)30-51/h7-39H,1-6H3.
What are the key properties of CID 173474861?
CID 173474861 has a molecular weight of 800.15 g/mol, XLogP of 14.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173474861 is sourced from PubChem (CID 173474861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).