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

C51H43N3Si2 — CID 140856453

IUPAC5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C51H43N3Si2/c1-55(2)48-22-12-8-18-44(48)53(45-19-9-13-23-49(45)55)40-30-26-37(27-31-40)42-34-39(36-16-6-5-7-17-36)35-43(52-42)38-28-32-41(33-29-38)54-46-20-10-14-24-50(46)56(3,4)51-25-15-11-21-47(51)54/h5-35H,1-4H3
InChIKeyPNPMTTIZQRBQAF-UHFFFAOYSA-N
MW754.10 g/mol
LogP11.29
Rot. Bonds5

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

5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 140856453) has the molecular formula C51H43N3Si2 and a molecular weight of 754.10 g/mol. Its IUPAC name is 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID140856453
Molecular FormulaC51H43N3Si2
Molecular Weight754.10 g/mol
Exact Mass753.30
IUPAC Name5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C51H43N3Si2/c1-55(2)48-22-12-8-18-44(48)53(45-19-9-13-23-49(45)55)40-30-26-37(27-31-40)42-34-39(36-16-6-5-7-17-36)35-43(52-42)38-28-32-41(33-29-38)54-46-20-10-14-24-50(46)56(3,4)51-25-15-11-21-47(51)54/h5-35H,1-4H3
InChIKeyPNPMTTIZQRBQAF-UHFFFAOYSA-N
XLogP11.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.10
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793735
16-(4,6-diphenyl-2-pyridinyl)-5,5-dimethyl-12-phenyl-12,16-diaza-5-silahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
CID 147654692
5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793863
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,10-diphenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220362
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 155787420
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 140856453) is 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is C[Si]1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.
What is the InChIKey of 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is PNPMTTIZQRBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N3Si2/c1-55(2)48-22-12-8-18-44(48)53(45-19-9-13-23-49(45)55)40-30-26-37(27-31-40)42-34-39(36-16-6-5-7-17-36)35-43(52-42)38-28-32-41(33-29-38)54-46-20-10-14-24-50(46)56(3,4)51-25-15-11-21-47(51)54/h5-35H,1-4H3.
What are the key properties of 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 754.10 g/mol, XLogP of 11.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 140856453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).