CID 136775419

C152H168N4O12Si4 — CID 136775419

About CID 136775419

CID 136775419 (PubChem CID 136775419) has the molecular formula C152H168N4O12Si4 and a molecular weight of 2355.38 g/mol.

Molecular Properties

• Compound Name: CID 136775419
• PubChem CID: 136775419
• Molecular Formula: C152H168N4O12Si4
• Molecular Weight: 2355.38 g/mol
• Exact Mass: 2353.17
• IUPAC Name: —
• SMILES: CCCCCCC1c2cc3c4c(-c5ccc(O[Si]6c7ccccc7CN(CCCC)Cc7ccccc76)cc5)c2OCOc2c1cc1c(c2-c2ccc(O[Si]5c6ccccc6CN(CCCC)Cc6ccccc65)cc2)OCOc2c(cc5c(c2-c2ccc(O[Si]6c7ccccc7CN(CCCC)Cc7ccccc76)cc2)OCOc2c(cc(c(c2-c2ccc(O[Si]6c7ccccc7CN(CCCC)Cc7ccccc76)cc2)OCO4)C3CCCCCC)C5CCCCCC)C1CCCCCC
• InChI: InChI=1S/C152H168N4O12Si4/c1-9-17-25-29-57-121-125-89-127-122(58-30-26-18-10-2)129-91-131-124(60-32-28-20-12-4)132-92-130-123(59-31-27-19-11-3)128-90-126(121)146-142(106-71-79-118(80-72-106)166-170-135-63-43-35-51-111(135)95-154(86-22-14-6)96-112-52-36-44-64-136(112)170)148(128)160-103-162-150(130)144(108-75-83-120(84-76-108)168-172-139-67-47-39-55-115(139)99-156(88-24-16-8)100-116-56-40-48-68-140(116)172)152(132)164-104-163-151(131)143(107-73-81-119(82-74-107)167-171-137-65-45-37-53-113(137)97-155(87-23-15-7)98-114-54-38-46-66-138(114)171)149(129)161-102-159-147(127)141(145(125)157-101-158-146)105-69-77-117(78-70-105)165-169-133-61-41-33-49-109(133)93-153(85-21-13-5)94-110-50-34-42-62-134(110)169/h33-56,61-84,89-92,121-124H,9-32,57-60,85-88,93-104H2,1-8H3
• InChIKey: ALXZCAPRALLMSM-UHFFFAOYSA-N
• XLogP: 31.19
• TPSA: 123.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.38
LogP ≤ 5	31.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 136775419?

The IUPAC name of CID 136775419 (CID 136775419) is not available.

What is the SMILES notation for CID 136775419?

The canonical SMILES for CID 136775419 is CCCCCCC1c2cc3c4c(-c5ccc(O[Si]6c7ccccc7CN(CCCC)Cc7ccccc76)cc5)c2OCOc2c1cc1c(c2-c2ccc(O[Si]5c6ccccc6CN(CCCC)Cc6ccccc65)cc2)OCOc2c(cc5c(c2-c2ccc(O[Si]6c7ccccc7CN(CCCC)Cc7ccccc76)cc2)OCOc2c(cc(c(c2-c2ccc(O[Si]6c7ccccc7CN(CCCC)Cc7ccccc76)cc2)OCO4)C3CCCCCC)C5CCCCCC)C1CCCCCC.

What is the InChIKey of CID 136775419?

The InChIKey is ALXZCAPRALLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H168N4O12Si4/c1-9-17-25-29-57-121-125-89-127-122(58-30-26-18-10-2)129-91-131-124(60-32-28-20-12-4)132-92-130-123(59-31-27-19-11-3)128-90-126(121)146-142(106-71-79-118(80-72-106)166-170-135-63-43-35-51-111(135)95-154(86-22-14-6)96-112-52-36-44-64-136(112)170)148(128)160-103-162-150(130)144(108-75-83-120(84-76-108)168-172-139-67-47-39-55-115(139)99-156(88-24-16-8)100-116-56-40-48-68-140(116)172)152(132)164-104-163-151(131)143(107-73-81-119(82-74-107)167-171-137-65-45-37-53-113(137)97-155(87-23-15-7)98-114-54-38-46-66-138(114)171)149(129)161-102-159-147(127)141(145(125)157-101-158-146)105-69-77-117(78-70-105)165-169-133-61-41-33-49-109(133)93-153(85-21-13-5)94-110-50-34-42-62-134(110)169/h33-56,61-84,89-92,121-124H,9-32,57-60,85-88,93-104H2,1-8H3.

What are the key properties of CID 136775419?

CID 136775419 has a molecular weight of 2355.38 g/mol, XLogP of 31.19, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 136775419 is sourced from PubChem (CID 136775419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).