4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene

C58H46N4Si2 — CID 140937971

IUPAC4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cc3c(cc21)N(c1ccc(-n2c4ccccc4c4ccccc42)cc1)c1ccccc1[Si]3(C)C
InChIInChI=1S/C58H46N4Si2/c1-63(2)55-27-15-13-25-51(55)61(41-33-29-39(30-34-41)59-47-21-9-5-17-43(47)44-18-6-10-22-48(44)59)53-38-58-54(37-57(53)63)62(52-26-14-16-28-56(52)64(58,3)4)42-35-31-40(32-36-42)60-49-23-11-7-19-45(49)46-20-8-12-24-50(46)60/h5-38H,1-4H3
InChIKeyBLPHXKGPRSOEFC-UHFFFAOYSA-N
MW855.21 g/mol
LogP13.09
Rot. Bonds4

About 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene

4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene (PubChem CID 140937971) has the molecular formula C58H46N4Si2 and a molecular weight of 855.21 g/mol. Its IUPAC name is 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene.

Molecular Properties

Compound Name4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene
PubChem CID140937971
Molecular FormulaC58H46N4Si2
Molecular Weight855.21 g/mol
Exact Mass854.33
IUPAC Name4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cc3c(cc21)N(c1ccc(-n2c4ccccc4c4ccccc42)cc1)c1ccccc1[Si]3(C)C
InChIInChI=1S/C58H46N4Si2/c1-63(2)55-27-15-13-25-51(55)61(41-33-29-39(30-34-41)59-47-21-9-5-17-43(47)44-18-6-10-22-48(44)59)53-38-58-54(37-57(53)63)62(52-26-14-16-28-56(52)64(58,3)4)42-35-31-40(32-36-42)60-49-23-11-7-19-45(49)46-20-8-12-24-50(46)60/h5-38H,1-4H3
InChIKeyBLPHXKGPRSOEFC-UHFFFAOYSA-N
XLogP13.09
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.21
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene with MolForge

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Related Compounds

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10,10-diphenyl-5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[b][1,4]benzazasiline
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CID 118216147
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-[3-(2,6-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzo[b][1,4]benzazasiline
CID 164756570
8-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162769013
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
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
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3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
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CID 58511406

Frequently Asked Questions

What is the IUPAC name of 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene?
The IUPAC name of 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene (CID 140937971) is 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene.
What is the SMILES notation for 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene?
The canonical SMILES for 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene is C[Si]1(C)c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cc3c(cc21)N(c1ccc(-n2c4ccccc4c4ccccc42)cc1)c1ccccc1[Si]3(C)C.
What is the InChIKey of 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene?
The InChIKey is BLPHXKGPRSOEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N4Si2/c1-63(2)55-27-15-13-25-51(55)61(41-33-29-39(30-34-41)59-47-21-9-5-17-43(47)44-18-6-10-22-48(44)59)53-38-58-54(37-57(53)63)62(52-26-14-16-28-56(52)64(58,3)4)42-35-31-40(32-36-42)60-49-23-11-7-19-45(49)46-20-8-12-24-50(46)60/h5-38H,1-4H3.
What are the key properties of 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene?
4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene has a molecular weight of 855.21 g/mol, XLogP of 13.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene is sourced from PubChem (CID 140937971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).