diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane

C46H32N4Si — CID 164714397

IUPACdiphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane
SMILESc1ccc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5n4)nc32)cc1
InChIInChI=1S/C46H32N4Si/c1-5-17-33(18-6-1)49-41-27-15-13-25-37(41)39-29-31-43(47-45(39)49)51(35-21-9-3-10-22-35,36-23-11-4-12-24-36)44-32-30-40-38-26-14-16-28-42(38)50(46(40)48-44)34-19-7-2-8-20-34/h1-32H
InChIKeyASIJBHRBFDJKMR-UHFFFAOYSA-N
MW668.88 g/mol
LogP8.05
Rot. Bonds6

About diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane

diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane (PubChem CID 164714397) has the molecular formula C46H32N4Si and a molecular weight of 668.88 g/mol. Its IUPAC name is diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane.

Molecular Properties

Compound Namediphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane
PubChem CID164714397
Molecular FormulaC46H32N4Si
Molecular Weight668.88 g/mol
Exact Mass668.24
IUPAC Namediphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane
SMILESc1ccc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5n4)nc32)cc1
InChIInChI=1S/C46H32N4Si/c1-5-17-33(18-6-1)49-41-27-15-13-25-37(41)39-29-31-43(47-45(39)49)51(35-21-9-3-10-22-35,36-23-11-4-12-24-36)44-32-30-40-38-26-14-16-28-42(38)50(46(40)48-44)34-19-7-2-8-20-34/h1-32H
InChIKeyASIJBHRBFDJKMR-UHFFFAOYSA-N
XLogP8.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
(9-phenylpyrido[2,3-b]indol-2-yl)boronic acid
CID 146014442
9-phenylpyrido[2,3-b]indole
CID 15939260
triphenyl-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-triphenylsilylphenyl]silane
CID 168792001
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
diphenyl-(9-phenylcarbazol-2-yl)-pyridin-2-ylsilane
CID 161189734
triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane
CID 168792006
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
(4-fluorophenyl)-diphenyl-(9-phenylcarbazol-2-yl)silane
CID 160801303

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane?
The IUPAC name of diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane (CID 164714397) is diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane.
What is the SMILES notation for diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane?
The canonical SMILES for diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane is c1ccc(-n2c3ccccc3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5n4)nc32)cc1.
What is the InChIKey of diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane?
The InChIKey is ASIJBHRBFDJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4Si/c1-5-17-33(18-6-1)49-41-27-15-13-25-37(41)39-29-31-43(47-45(39)49)51(35-21-9-3-10-22-35,36-23-11-4-12-24-36)44-32-30-40-38-26-14-16-28-42(38)50(46(40)48-44)34-19-7-2-8-20-34/h1-32H.
What are the key properties of diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane?
diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane has a molecular weight of 668.88 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(9-phenylpyrido[2,3-b]indol-2-yl)silane is sourced from PubChem (CID 164714397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).