CID 59957115

C29H30BN2OSi — CID 59957115

IUPAC—
SMILESC[B]ON(c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C29H30BN2OSi/c1-30-33-32(27-19-21-28(22-20-27)34(2,3)4)26-17-15-25(16-18-26)31-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-22H,1-4H3
InChIKeyRXHCATOCVABVSL-UHFFFAOYSA-N
MW461.47 g/mol
LogP7.14
Rot. Bonds8

About CID 59957115

CID 59957115 (PubChem CID 59957115) has the molecular formula C29H30BN2OSi and a molecular weight of 461.47 g/mol.

Molecular Properties

Compound NameCID 59957115
PubChem CID59957115
Molecular FormulaC29H30BN2OSi
Molecular Weight461.47 g/mol
Exact Mass461.22
IUPAC Name—
SMILESC[B]ON(c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C29H30BN2OSi/c1-30-33-32(27-19-21-28(22-20-27)34(2,3)4)26-17-15-25(16-18-26)31-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-22H,1-4H3
InChIKeyRXHCATOCVABVSL-UHFFFAOYSA-N
XLogP7.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59957109
CID 59957109
4-N-[4-[N-[4-[bis[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]methylideneamino]phenyl]-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-[N-[4-[bis[4-(N-phenylanilino)phenyl]methylideneamino]phenyl]-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]-N,N-diphenylaniline
CID 160656529
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
CID 134172989
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
CID 121256190
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 90020358
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
N-(3-methylimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine
CID 138621159
N,N-diphenyl-4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[4-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)aniline
CID 165073252

Frequently Asked Questions

What is the IUPAC name of CID 59957115?
The IUPAC name of CID 59957115 (CID 59957115) is not available.
What is the SMILES notation for CID 59957115?
The canonical SMILES for CID 59957115 is C[B]ON(c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of CID 59957115?
The InChIKey is RXHCATOCVABVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30BN2OSi/c1-30-33-32(27-19-21-28(22-20-27)34(2,3)4)26-17-15-25(16-18-26)31-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-22H,1-4H3.
What are the key properties of CID 59957115?
CID 59957115 has a molecular weight of 461.47 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59957115 is sourced from PubChem (CID 59957115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).