CID 89343456

C99H215N12O36Si10 — CID 89343456

About CID 89343456

CID 89343456 (PubChem CID 89343456) has the molecular formula C99H215N12O36Si10 and a molecular weight of 2430.72 g/mol.

Molecular Properties

• Compound Name: CID 89343456
• PubChem CID: 89343456
• Molecular Formula: C99H215N12O36Si10
• Molecular Weight: 2430.72 g/mol
• Exact Mass: 2428.31
• IUPAC Name: —
• SMILES: CCO[Si](CCCOCN(COC)c1nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)n1)OCC
• InChI: InChI=1S/C99H215N12O36Si10/c1-30-124-148(125-31-2)72-53-62-114-84-106(82-112-24)94-100-98(110(90-120-68-59-78-155(138-44-15,139-45-16)140-46-17)91-121-69-60-79-156(141-47-18,142-48-19)143-49-20)105-99(103-94)111(92-122-70-61-80-157(144-50-21,145-51-22)146-52-23)93-123-71-81-150(28,29)147-149(26,27)73-54-63-115-86-108(87-117-65-56-75-152(129-35-6,130-36-7)131-37-8)96-101-95(107(83-113-25)85-116-64-55-74-151(126-32-3,127-33-4)128-34-5)102-97(104-96)109(88-118-66-57-76-153(132-38-9,133-39-10)134-40-11)89-119-67-58-77-154(135-41-12,136-42-13)137-43-14/h30-93H2,1-29H3
• InChIKey: BPBOBKFGPUBNRX-UHFFFAOYSA-N
• XLogP: 16.38
• TPSA: 429.06 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 117
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2430.72
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 89343456?

The IUPAC name of CID 89343456 (CID 89343456) is not available.

What is the SMILES notation for CID 89343456?

The canonical SMILES for CID 89343456 is CCO[Si](CCCOCN(COC)c1nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)n1)OCC.

What is the InChIKey of CID 89343456?

The InChIKey is BPBOBKFGPUBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H215N12O36Si10/c1-30-124-148(125-31-2)72-53-62-114-84-106(82-112-24)94-100-98(110(90-120-68-59-78-155(138-44-15,139-45-16)140-46-17)91-121-69-60-79-156(141-47-18,142-48-19)143-49-20)105-99(103-94)111(92-122-70-61-80-157(144-50-21,145-51-22)146-52-23)93-123-71-81-150(28,29)147-149(26,27)73-54-63-115-86-108(87-117-65-56-75-152(129-35-6,130-36-7)131-37-8)96-101-95(107(83-113-25)85-116-64-55-74-151(126-32-3,127-33-4)128-34-5)102-97(104-96)109(88-118-66-57-76-153(132-38-9,133-39-10)134-40-11)89-119-67-58-77-154(135-41-12,136-42-13)137-43-14/h30-93H2,1-29H3.

What are the key properties of CID 89343456?

CID 89343456 has a molecular weight of 2430.72 g/mol, XLogP of 16.38, 117 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for CID 89343456 is sourced from PubChem (CID 89343456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).