5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]

C64H52N4Si — CID 58249847

IUPAC5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
SMILESCc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)[Si]1(N2c2ccc(-c3ccccc3)cc2)N(c2ccc(-c3ccccc3)cc2)c2cc(C)c(C)cc2N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C64H52N4Si/c1-45-41-61-62(42-46(45)2)66(58-35-27-54(28-36-58)50-19-11-6-12-20-50)69(65(61)57-33-25-53(26-34-57)49-17-9-5-10-18-49)67(59-37-29-55(30-38-59)51-21-13-7-14-22-51)63-43-47(3)48(4)44-64(63)68(69)60-39-31-56(32-40-60)52-23-15-8-16-24-52/h5-44H,1-4H3
InChIKeySANMJCZWQNAUIZ-UHFFFAOYSA-N
MW905.23 g/mol
LogP17.30
Rot. Bonds8

About 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]

5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole] (PubChem CID 58249847) has the molecular formula C64H52N4Si and a molecular weight of 905.23 g/mol. Its IUPAC name is 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole].

Molecular Properties

Compound Name5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
PubChem CID58249847
Molecular FormulaC64H52N4Si
Molecular Weight905.23 g/mol
Exact Mass904.40
IUPAC Name5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
SMILESCc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)[Si]1(N2c2ccc(-c3ccccc3)cc2)N(c2ccc(-c3ccccc3)cc2)c2cc(C)c(C)cc2N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C64H52N4Si/c1-45-41-61-62(42-46(45)2)66(58-35-27-54(28-36-58)50-19-11-6-12-20-50)69(65(61)57-33-25-53(26-34-57)49-17-9-5-10-18-49)67(59-37-29-55(30-38-59)51-21-13-7-14-22-51)63-43-47(3)48(4)44-64(63)68(69)60-39-31-56(32-40-60)52-23-15-8-16-24-52/h5-44H,1-4H3
InChIKeySANMJCZWQNAUIZ-UHFFFAOYSA-N
XLogP17.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.23
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole] with MolForge

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Related Compounds

2,3-dimethyl-5,12-bis(4-phenylphenyl)benzo[b]phenazine;methane
CID 160942260
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
1,1',3,3'-tetrakis(4-methylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(3-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[phenanthro[9,10-d][1,3,2]diazasilole];1,1',3,3'-tetranaphthalen-1-yl-2,2'-spirobi[1,3,2-benzodiazasilole]
CID 161337132
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
1,1'-biphenyl;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 161332151
5,6-dimethyl-2,2-bis(4-methylphenyl)-3-phenyl-1,3,2-benzoxazasilole
CID 58249934
1,1'-biphenyl;toluene
CID 18366440
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
CID 166783776
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821

Frequently Asked Questions

What is the IUPAC name of 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]?
The IUPAC name of 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole] (CID 58249847) is 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole].
What is the SMILES notation for 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]?
The canonical SMILES for 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole] is Cc1cc2c(cc1C)N(c1ccc(-c3ccccc3)cc1)[Si]1(N2c2ccc(-c3ccccc3)cc2)N(c2ccc(-c3ccccc3)cc2)c2cc(C)c(C)cc2N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]?
The InChIKey is SANMJCZWQNAUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N4Si/c1-45-41-61-62(42-46(45)2)66(58-35-27-54(28-36-58)50-19-11-6-12-20-50)69(65(61)57-33-25-53(26-34-57)49-17-9-5-10-18-49)67(59-37-29-55(30-38-59)51-21-13-7-14-22-51)63-43-47(3)48(4)44-64(63)68(69)60-39-31-56(32-40-60)52-23-15-8-16-24-52/h5-44H,1-4H3.
What are the key properties of 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]?
5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole] has a molecular weight of 905.23 g/mol, XLogP of 17.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole] is sourced from PubChem (CID 58249847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).