N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline

C36H27NSi — CID 153426650

IUPACN,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc([Si]3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C36H27NSi/c1-4-14-28(15-5-1)37(29-16-6-2-7-17-29)30-24-26-32(27-25-30)38(31-18-8-3-9-19-31)35-22-12-10-20-33(35)34-21-11-13-23-36(34)38/h1-27H
InChIKeyDJBVABIDDJTEDM-UHFFFAOYSA-N
MW501.71 g/mol
LogP6.51
Rot. Bonds5

About N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline

N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline (PubChem CID 153426650) has the molecular formula C36H27NSi and a molecular weight of 501.71 g/mol. Its IUPAC name is N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
PubChem CID153426650
Molecular FormulaC36H27NSi
Molecular Weight501.71 g/mol
Exact Mass501.19
IUPAC NameN,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc([Si]3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C36H27NSi/c1-4-14-28(15-5-1)37(29-16-6-2-7-17-29)30-24-26-32(27-25-30)38(31-18-8-3-9-19-31)35-22-12-10-20-33(35)34-21-11-13-23-36(34)38/h1-27H
InChIKeyDJBVABIDDJTEDM-UHFFFAOYSA-N
XLogP6.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.71
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-5-yl]aniline
CID 165050185
N-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 153282049
N-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-4-phenyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 140719487
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161
N-phenyl-N-(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025194
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
N-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-N-phenyl-3-(4-phenylphenyl)aniline
CID 176764651
triphenyl-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]silane
CID 140775193
5,5-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilol-4-amine
CID 153426606
4-[5,5-dimethyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-dimethyl-7-N-phenyl-3-N,3-N-bis(4-phenylphenyl)-7-N-[4-(4-phenylphenyl)phenyl]benzo[b][1]benzosilole-3,7-diamine;3-N,3-N,7-N,7-N,5,5-hexakis-phenylbenzo[b][1]benzosilole-3,7-diamine;3-N,7-N,5,5-tetraphenyl-3-N,7-N-bis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 157189815
N-[4-[5,5-dimethyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]benzo[b][1]benzosilol-7-yl]phenyl]-N,4-diphenylaniline;4-[5,5-diphenyl-3-[4-(N-phenylanilino)phenyl]benzo[b][1]benzosilol-7-yl]-N,N-diphenylaniline;5,5-diphenyl-3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine;3-N,7-N,7-N,5,5-pentakis-phenyl-3-N-(4-phenylphenyl)benzo[b][1]benzosilole-3,7-diamine
CID 161337171
N-[4-(5,5-diphenylnaphtho[2,3-b][1]benzosilol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 140719464

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline (CID 153426650) is N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline is c1ccc(N(c2ccccc2)c2ccc([Si]3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline?
The InChIKey is DJBVABIDDJTEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NSi/c1-4-14-28(15-5-1)37(29-16-6-2-7-17-29)30-24-26-32(27-25-30)38(31-18-8-3-9-19-31)35-22-12-10-20-33(35)34-21-11-13-23-36(34)38/h1-27H.
What are the key properties of N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline?
N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline has a molecular weight of 501.71 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(5-phenylbenzo[b][1]benzosilol-5-yl)aniline is sourced from PubChem (CID 153426650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).