1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine

C40H32N2Si — CID 59167438

IUPAC1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine
SMILESCc1cc2c(cc1/C=N/c1ccccc1)-c1cc(/C=N/c3ccccc3)c(C)cc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H32N2Si/c1-29-23-39-37(25-31(29)27-41-33-15-7-3-8-16-33)38-26-32(28-42-34-17-9-4-10-18-34)30(2)24-40(38)43(39,35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-28H,1-2H3/b41-27+,42-28+
InChIKeyBFJDQRAKRXWQPA-CTQPMARESA-N
MW568.80 g/mol
LogP7.16
Rot. Bonds6

About 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine

1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine (PubChem CID 59167438) has the molecular formula C40H32N2Si and a molecular weight of 568.80 g/mol. Its IUPAC name is 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine
PubChem CID59167438
Molecular FormulaC40H32N2Si
Molecular Weight568.80 g/mol
Exact Mass568.23
IUPAC Name1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine
SMILESCc1cc2c(cc1/C=N/c1ccccc1)-c1cc(/C=N/c3ccccc3)c(C)cc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H32N2Si/c1-29-23-39-37(25-31(29)27-41-33-15-7-3-8-16-33)38-26-32(28-42-34-17-9-4-10-18-34)30(2)24-40(38)43(39,35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-28H,1-2H3/b41-27+,42-28+
InChIKeyBFJDQRAKRXWQPA-CTQPMARESA-N
XLogP7.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.80
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine?
The IUPAC name of 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine (CID 59167438) is 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine is Cc1cc2c(cc1/C=N/c1ccccc1)-c1cc(/C=N/c3ccccc3)c(C)cc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine?
The InChIKey is BFJDQRAKRXWQPA-CTQPMARESA-N. The full InChI is InChI=1S/C40H32N2Si/c1-29-23-39-37(25-31(29)27-41-33-15-7-3-8-16-33)38-26-32(28-42-34-17-9-4-10-18-34)30(2)24-40(38)43(39,35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-28H,1-2H3/b41-27+,42-28+.
What are the key properties of 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine?
1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine has a molecular weight of 568.80 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine is sourced from PubChem (CID 59167438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).