CID 102200221

C46H38Si — CID 102200221

IUPAC—
SMILESCC1(C)CC2(c3ccccc3-c3ccccc32)c2c1cc1c(c2[Si-]=C2C=C[CH+]C=C2)C2(CC1(C)C)c1ccccc1-c1ccccc12
InChIInChI=1S/C46H38Si/c1-43(2)27-45(34-22-12-8-18-30(34)31-19-9-13-23-35(31)45)40-38(43)26-39-41(42(40)47-29-16-6-5-7-17-29)46(28-44(39,3)4)36-24-14-10-20-32(36)33-21-11-15-25-37(33)46/h5-26H,27-28H2,1-4H3
InChIKeyOHAZIQITYVTQAZ-UHFFFAOYSA-N
MW618.90 g/mol
LogP9.51
Rot. Bonds1

About CID 102200221

CID 102200221 (PubChem CID 102200221) has the molecular formula C46H38Si and a molecular weight of 618.90 g/mol.

Molecular Properties

Compound NameCID 102200221
PubChem CID102200221
Molecular FormulaC46H38Si
Molecular Weight618.90 g/mol
Exact Mass618.27
IUPAC Name—
SMILESCC1(C)CC2(c3ccccc3-c3ccccc32)c2c1cc1c(c2[Si-]=C2C=C[CH+]C=C2)C2(CC1(C)C)c1ccccc1-c1ccccc12
InChIInChI=1S/C46H38Si/c1-43(2)27-45(34-22-12-8-18-30(34)31-19-9-13-23-35(31)45)40-38(43)26-39-41(42(40)47-29-16-6-5-7-17-29)46(28-44(39,3)4)36-24-14-10-20-32(36)33-21-11-15-25-37(33)46/h5-26H,27-28H2,1-4H3
InChIKeyOHAZIQITYVTQAZ-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.90
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102200221?
The IUPAC name of CID 102200221 (CID 102200221) is not available.
What is the SMILES notation for CID 102200221?
The canonical SMILES for CID 102200221 is CC1(C)CC2(c3ccccc3-c3ccccc32)c2c1cc1c(c2[Si-]=C2C=C[CH+]C=C2)C2(CC1(C)C)c1ccccc1-c1ccccc12.
What is the InChIKey of CID 102200221?
The InChIKey is OHAZIQITYVTQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38Si/c1-43(2)27-45(34-22-12-8-18-30(34)31-19-9-13-23-35(31)45)40-38(43)26-39-41(42(40)47-29-16-6-5-7-17-29)46(28-44(39,3)4)36-24-14-10-20-32(36)33-21-11-15-25-37(33)46/h5-26H,27-28H2,1-4H3.
What are the key properties of CID 102200221?
CID 102200221 has a molecular weight of 618.90 g/mol, XLogP of 9.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102200221 is sourced from PubChem (CID 102200221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).