CID 169322637

C64H56N4OSi2 — CID 169322637

IUPAC—
SMILESCC(C)(C)c1ccnc(-n2c3ccc(-c4ccc5c(c4)[Si](C)(C)CC[Si]5(C)C)cc3c3ccc(Oc4cccc(-n5[c-][n+]6c7c(cccc75)-c5ccccc5-c5ccccc5-c5ccccc5-6)c4)cc32)c1
InChIInChI=1S/C64H56N4OSi2/c1-64(2,3)44-32-33-65-62(38-44)68-57-30-26-42(43-27-31-60-61(37-43)71(6,7)35-34-70(60,4)5)36-55(57)53-29-28-47(40-59(53)68)69-46-17-14-16-45(39-46)66-41-67-56-24-13-12-22-52(56)50-20-10-8-18-48(50)49-19-9-11-21-51(49)54-23-15-25-58(66)63(54)67/h8-33,36-40H,34-35H2,1-7H3
InChIKeyAMVWDIHGIYKETL-UHFFFAOYSA-N
MW953.35 g/mol
LogP15.12
Rot. Bonds5

About CID 169322637

CID 169322637 (PubChem CID 169322637) has the molecular formula C64H56N4OSi2 and a molecular weight of 953.35 g/mol.

Molecular Properties

Compound NameCID 169322637
PubChem CID169322637
Molecular FormulaC64H56N4OSi2
Molecular Weight953.35 g/mol
Exact Mass952.40
IUPAC Name—
SMILESCC(C)(C)c1ccnc(-n2c3ccc(-c4ccc5c(c4)[Si](C)(C)CC[Si]5(C)C)cc3c3ccc(Oc4cccc(-n5[c-][n+]6c7c(cccc75)-c5ccccc5-c5ccccc5-c5ccccc5-6)c4)cc32)c1
InChIInChI=1S/C64H56N4OSi2/c1-64(2,3)44-32-33-65-62(38-44)68-57-30-26-42(43-27-31-60-61(37-43)71(6,7)35-34-70(60,4)5)36-55(57)53-29-28-47(40-59(53)68)69-46-17-14-16-45(39-46)66-41-67-56-24-13-12-22-52(56)50-20-10-8-18-48(50)49-19-9-11-21-51(49)54-23-15-25-58(66)63(54)67/h8-33,36-40H,34-35H2,1-7H3
InChIKeyAMVWDIHGIYKETL-UHFFFAOYSA-N
XLogP15.12
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.35
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of CID 169322637?
The IUPAC name of CID 169322637 (CID 169322637) is not available.
What is the SMILES notation for CID 169322637?
The canonical SMILES for CID 169322637 is CC(C)(C)c1ccnc(-n2c3ccc(-c4ccc5c(c4)[Si](C)(C)CC[Si]5(C)C)cc3c3ccc(Oc4cccc(-n5[c-][n+]6c7c(cccc75)-c5ccccc5-c5ccccc5-c5ccccc5-6)c4)cc32)c1.
What is the InChIKey of CID 169322637?
The InChIKey is AMVWDIHGIYKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N4OSi2/c1-64(2,3)44-32-33-65-62(38-44)68-57-30-26-42(43-27-31-60-61(37-43)71(6,7)35-34-70(60,4)5)36-55(57)53-29-28-47(40-59(53)68)69-46-17-14-16-45(39-46)66-41-67-56-24-13-12-22-52(56)50-20-10-8-18-48(50)49-19-9-11-21-51(49)54-23-15-25-58(66)63(54)67/h8-33,36-40H,34-35H2,1-7H3.
What are the key properties of CID 169322637?
CID 169322637 has a molecular weight of 953.35 g/mol, XLogP of 15.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169322637 is sourced from PubChem (CID 169322637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).