5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine

C43H34N2Si — CID 158362882

IUPAC5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine
SMILESCc1cccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C43H34N2Si/c1-33-17-16-22-36(31-33)45-40-27-14-15-28-42(40)46(38-23-10-4-11-24-38,39-25-12-5-13-26-39)43-32-37(29-30-41(43)45)44(34-18-6-2-7-19-34)35-20-8-3-9-21-35/h2-32H,1H3
InChIKeyREPADBOSFZYQGI-UHFFFAOYSA-N
MW606.85 g/mol
LogP8.63
Rot. Bonds6

About 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine

5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine (PubChem CID 158362882) has the molecular formula C43H34N2Si and a molecular weight of 606.85 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine
PubChem CID158362882
Molecular FormulaC43H34N2Si
Molecular Weight606.85 g/mol
Exact Mass606.25
IUPAC Name5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine
SMILESCc1cccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C43H34N2Si/c1-33-17-16-22-36(31-33)45-40-27-14-15-28-42(40)46(38-23-10-4-11-24-38,39-25-12-5-13-26-39)43-32-37(29-30-41(43)45)44(34-18-6-2-7-19-34)35-20-8-3-9-21-35/h2-32H,1H3
InChIKeyREPADBOSFZYQGI-UHFFFAOYSA-N
XLogP8.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.85
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]phenyl]-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140856458
3-phenyl-N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 153459005
5,10,10-triphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-3-amine;5,10,10-triphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[b][1,4]benzazasilin-3-amine;5,10,10-triphenyl-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]benzo[b][1,4]benzazasilin-3-amine
CID 159227022
N,N-diphenyl-4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)aniline
CID 153458924
N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 155645417
N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
CID 153459046
N-phenanthren-9-yl-5,10,10-triphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
CID 153458979
N,2-bis(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline;3-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 160555573
N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
CID 153459020
10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
CID 148982605
N,N,8,14,14-pentakis-phenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 162507226
5-[4-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-methylphenyl]-3-methylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140856445

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine?
The IUPAC name of 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine (CID 158362882) is 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine.
What is the SMILES notation for 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine?
The canonical SMILES for 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine is Cc1cccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c1.
What is the InChIKey of 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine?
The InChIKey is REPADBOSFZYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2Si/c1-33-17-16-22-36(31-33)45-40-27-14-15-28-42(40)46(38-23-10-4-11-24-38,39-25-12-5-13-26-39)43-32-37(29-30-41(43)45)44(34-18-6-2-7-19-34)35-20-8-3-9-21-35/h2-32H,1H3.
What are the key properties of 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine?
5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine has a molecular weight of 606.85 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine is sourced from PubChem (CID 158362882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).