bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane

C31H33Cl2IP2Si — CID 159295465

IUPACbis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane
SMILESC[Si](C)(C)I.ClP1c2ccccc2CCc2ccccc21.ClP1c2ccccc2CCc2ccccc21
InChIInChI=1S/2C14H12ClP.C3H9ISi/c2*15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-5(2,3)4/h2*1-8H,9-10H2;1-3H3
InChIKeyLAQSVKVOTSLYHJ-UHFFFAOYSA-N
MW693.45 g/mol
LogP9.00
Rot. Bonds

About bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane

bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane (PubChem CID 159295465) has the molecular formula C31H33Cl2IP2Si and a molecular weight of 693.45 g/mol. Its IUPAC name is bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane.

Molecular Properties

Compound Namebis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane
PubChem CID159295465
Molecular FormulaC31H33Cl2IP2Si
Molecular Weight693.45 g/mol
Exact Mass692.02
IUPAC Namebis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane
SMILESC[Si](C)(C)I.ClP1c2ccccc2CCc2ccccc21.ClP1c2ccccc2CCc2ccccc21
InChIInChI=1S/2C14H12ClP.C3H9ISi/c2*15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-5(2,3)4/h2*1-8H,9-10H2;1-3H3
InChIKeyLAQSVKVOTSLYHJ-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.45
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane 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

5-methyl-6H-phosphanthridine
CID 144525107
1-methyl-3H-2,1-benzoxaphosphole
CID 178006597
9,10-dihydrophenanthrene;ethane
CID 143759681
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
trimethyl-(1-trimethylstannyl-3,4-dihydronaphthalen-2-yl)stannane
CID 11430991
9,10-dihydrophenanthrene;methane
CID 174728506
ethane;4,5,9,10-tetrahydropyrene
CID 157285426
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine
CID 165410480
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
2,3-dihydro-1H-isoindol-2-ium;ethane;chloride
CID 159284201

Frequently Asked Questions

What is the IUPAC name of bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane?
The IUPAC name of bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane (CID 159295465) is bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane.
What is the SMILES notation for bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane?
The canonical SMILES for bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane is C[Si](C)(C)I.ClP1c2ccccc2CCc2ccccc21.ClP1c2ccccc2CCc2ccccc21.
What is the InChIKey of bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane?
The InChIKey is LAQSVKVOTSLYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12ClP.C3H9ISi/c2*15-16-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16;1-5(2,3)4/h2*1-8H,9-10H2;1-3H3.
What are the key properties of bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane?
bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane has a molecular weight of 693.45 g/mol, XLogP of 9.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(11-chloro-5,6-dihydrobenzo[b][1]benzophosphepine);iodo(trimethyl)silane is sourced from PubChem (CID 159295465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).