CID 23150371

C30H26Br2O2Si2 — CID 23150371

IUPAC—
SMILESCc1cccc([Si]OC2c3cc(Br)ccc3-c3ccc(Br)cc3C2O[Si]c2cccc(C)c2C)c1C
InChIInChI=1S/C30H26Br2O2Si2/c1-17-7-5-9-27(19(17)3)35-33-29-25-15-21(31)11-13-23(25)24-14-12-22(32)16-26(24)30(29)34-36-28-10-6-8-18(2)20(28)4/h5-16,29-30H,1-4H3
InChIKeyQFWGIIWVLPPEQQ-UHFFFAOYSA-N
MW634.52 g/mol
LogP7.13
Rot. Bonds6

About CID 23150371

CID 23150371 (PubChem CID 23150371) has the molecular formula C30H26Br2O2Si2 and a molecular weight of 634.52 g/mol.

Molecular Properties

Compound NameCID 23150371
PubChem CID23150371
Molecular FormulaC30H26Br2O2Si2
Molecular Weight634.52 g/mol
Exact Mass631.98
IUPAC Name—
SMILESCc1cccc([Si]OC2c3cc(Br)ccc3-c3ccc(Br)cc3C2O[Si]c2cccc(C)c2C)c1C
InChIInChI=1S/C30H26Br2O2Si2/c1-17-7-5-9-27(19(17)3)35-33-29-25-15-21(31)11-13-23(25)24-14-12-22(32)16-26(24)30(29)34-36-28-10-6-8-18(2)20(28)4/h5-16,29-30H,1-4H3
InChIKeyQFWGIIWVLPPEQQ-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.52
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 23150371 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 23150360
CID 23150360
Tributyl-[(2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy]silane
CID 23150362
(2,7-Dibromo-9,10-dimethyl-10-trimethylsilyloxyphenanthren-9-yl)oxy-trimethylsilane
CID 23150363
(2,7-Dibromo-10-trimethylsilyloxy-9,10-dihydrophenanthren-9-yl)oxy-trimethylsilane
CID 23150367
2,7-Dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
CID 23150368
Tert-butyl-[[2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
CID 23150369
2,7-Dibromo-9,10-dimethoxy-9-methyl-10-p-tolyl-9,10-dihydro-phenanthrene
CID 58833525
CID 58942159
CID 58942159
2,7-Dibromo-9,10-bis(4-tert-butylphenyl)-9,10-dimethoxyphenanthrene
CID 59167256
tributyl-[[(9S,10S)-2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane
CID 67424692
tributyl-[[(9R,10R)-2,7-dibromo-10-tributylsilyloxy-9,10-dihydrophenanthren-9-yl]oxy]silane
CID 67424694
tert-butyl-[[(9S,10S)-2,7-dibromo-10-[tert-butyl(dimethyl)silyl]oxy-9,10-dihydrophenanthren-9-yl]oxy]-dimethylsilane
CID 67424721

Frequently Asked Questions

What is the IUPAC name of CID 23150371?
The IUPAC name of CID 23150371 (CID 23150371) is not available.
What is the SMILES notation for CID 23150371?
The canonical SMILES for CID 23150371 is Cc1cccc([Si]OC2c3cc(Br)ccc3-c3ccc(Br)cc3C2O[Si]c2cccc(C)c2C)c1C.
What is the InChIKey of CID 23150371?
The InChIKey is QFWGIIWVLPPEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2O2Si2/c1-17-7-5-9-27(19(17)3)35-33-29-25-15-21(31)11-13-23(25)24-14-12-22(32)16-26(24)30(29)34-36-28-10-6-8-18(2)20(28)4/h5-16,29-30H,1-4H3.
What are the key properties of CID 23150371?
CID 23150371 has a molecular weight of 634.52 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23150371 is sourced from PubChem (CID 23150371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).