10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline

C67H47N3Si2 — CID 123190786

IUPAC10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline
SMILESc1ccc([Si]2(c3ccc4ccccc4c3)c3ccccc3N(c3cccc(-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccc7ccccc7c6)c6ccccc65)n4)c3)c3ccccc32)cc1
InChIInChI=1S/C67H47N3Si2/c1-3-27-54(28-4-1)71(56-43-41-48-21-7-9-23-50(48)46-56)63-36-15-11-32-59(63)69(60-33-12-16-37-64(60)71)53-26-19-25-52(45-53)58-31-20-40-67(68-58)70-61-34-13-17-38-65(61)72(55-29-5-2-6-30-55,66-39-18-14-35-62(66)70)57-44-42-49-22-8-10-24-51(49)47-57/h1-47H
InChIKeyAMZKKKJFFTUDFK-UHFFFAOYSA-N
MW950.31 g/mol
LogP11.38
Rot. Bonds7

About 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline

10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline (PubChem CID 123190786) has the molecular formula C67H47N3Si2 and a molecular weight of 950.31 g/mol. Its IUPAC name is 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline
PubChem CID123190786
Molecular FormulaC67H47N3Si2
Molecular Weight950.31 g/mol
Exact Mass949.33
IUPAC Name10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline
SMILESc1ccc([Si]2(c3ccc4ccccc4c3)c3ccccc3N(c3cccc(-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccc7ccccc7c6)c6ccccc65)n4)c3)c3ccccc32)cc1
InChIInChI=1S/C67H47N3Si2/c1-3-27-54(28-4-1)71(56-43-41-48-21-7-9-23-50(48)46-56)63-36-15-11-32-59(63)69(60-33-12-16-37-64(60)71)53-26-19-25-52(45-53)58-31-20-40-67(68-58)70-61-34-13-17-38-65(61)72(55-29-5-2-6-30-55,66-39-18-14-35-62(66)70)57-44-42-49-22-8-10-24-51(49)47-57/h1-47H
InChIKeyAMZKKKJFFTUDFK-UHFFFAOYSA-N
XLogP11.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.31
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile
CID 153487895
6-[3-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 153487840
5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline
CID 140752665
N,6-diphenyl-N-[6-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 140752711
N-(4-naphthalen-2-ylphenyl)-N,5,10,10-tetraphenylbenzo[b][1,4]benzazasilin-3-amine
CID 153459046
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
5-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 90393936
5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 159082261
N,N-bis(4-naphthalen-1-ylphenyl)-4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]aniline
CID 158352368
14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)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 162507221
N-(4-phenylphenyl)-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-2-yl)phenyl]naphthalen-1-amine
CID 153459020
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 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline (CID 123190786) is 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline is c1ccc([Si]2(c3ccc4ccccc4c3)c3ccccc3N(c3cccc(-c4cccc(N5c6ccccc6[Si](c6ccccc6)(c6ccc7ccccc7c6)c6ccccc65)n4)c3)c3ccccc32)cc1.
What is the InChIKey of 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline?
The InChIKey is AMZKKKJFFTUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3Si2/c1-3-27-54(28-4-1)71(56-43-41-48-21-7-9-23-50(48)46-56)63-36-15-11-32-59(63)69(60-33-12-16-37-64(60)71)53-26-19-25-52(45-53)58-31-20-40-67(68-58)70-61-34-13-17-38-65(61)72(55-29-5-2-6-30-55,66-39-18-14-35-62(66)70)57-44-42-49-22-8-10-24-51(49)47-57/h1-47H.
What are the key properties of 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline?
10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline has a molecular weight of 950.31 g/mol, XLogP of 11.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 123190786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).