[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane

C126H86N4Si2 — CID 163460584

IUPAC[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C66H46N2Si.C60H40N2Si/c1-6-23-53(24-7-1)67-63-35-17-16-34-59(63)60-44-51(37-39-64(60)67)52-38-41-66-62(46-52)61-45-50(36-40-65(61)68(66)54-25-8-2-9-26-54)48-21-18-20-47(42-48)49-22-19-33-58(43-49)69(55-27-10-3-11-28-55,56-29-12-4-13-30-56)57-31-14-5-15-32-57;1-3-19-43(20-4-1)63(44-21-5-2-6-22-44,46-35-36-51-49-26-8-7-24-47(49)48-25-9-10-27-50(48)55(51)40-46)45-23-17-18-41(38-45)61-59-33-16-13-30-54(59)56-39-42(34-37-60(56)61)62-57-31-14-11-28-52(57)53-29-12-15-32-58(53)62/h1-46H;1-40H
InChIKeyBOFFSXJWKYGPEE-UHFFFAOYSA-N
MW1712.27 g/mol
LogP26.98
Rot. Bonds15

About [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane

[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane (PubChem CID 163460584) has the molecular formula C126H86N4Si2 and a molecular weight of 1712.27 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane.

Molecular Properties

Compound Name[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane
PubChem CID163460584
Molecular FormulaC126H86N4Si2
Molecular Weight1712.27 g/mol
Exact Mass1710.64
IUPAC Name[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C66H46N2Si.C60H40N2Si/c1-6-23-53(24-7-1)67-63-35-17-16-34-59(63)60-44-51(37-39-64(60)67)52-38-41-66-62(46-52)61-45-50(36-40-65(61)68(66)54-25-8-2-9-26-54)48-21-18-20-47(42-48)49-22-19-33-58(43-49)69(55-27-10-3-11-28-55,56-29-12-4-13-30-56)57-31-14-5-15-32-57;1-3-19-43(20-4-1)63(44-21-5-2-6-22-44,46-35-36-51-49-26-8-7-24-47(49)48-25-9-10-27-50(48)55(51)40-46)45-23-17-18-41(38-45)61-59-33-16-13-30-54(59)56-39-42(34-37-60(56)61)62-57-31-14-11-28-52(57)53-29-12-15-32-58(53)62/h1-46H;1-40H
InChIKeyBOFFSXJWKYGPEE-UHFFFAOYSA-N
XLogP26.98
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.27
LogP ≤ 526.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]phenyl]phenyl]silane;triphenyl-[9-phenyl-6-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-2-yl]silane;triphenyl-[9-phenyl-6-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-3-yl]silane
CID 165026988
triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 140790424
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[1]benzothiolo[2,3-b][1]benzothiol-2-yl-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenylsilane;[1]benzothiolo[2,3-b][1]benzothiol-2-yl-diphenyl-triphenylen-2-ylsilane;[3-([1]benzothiolo[2,3-b][1]benzothiol-2-yl)phenyl]-diphenyl-triphenylen-2-ylsilane
CID 159388992
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane?
The IUPAC name of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane (CID 163460584) is [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane.
What is the SMILES notation for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane?
The canonical SMILES for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane?
The InChIKey is BOFFSXJWKYGPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si.C60H40N2Si/c1-6-23-53(24-7-1)67-63-35-17-16-34-59(63)60-44-51(37-39-64(60)67)52-38-41-66-62(46-52)61-45-50(36-40-65(61)68(66)54-25-8-2-9-26-54)48-21-18-20-47(42-48)49-22-19-33-58(43-49)69(55-27-10-3-11-28-55,56-29-12-4-13-30-56)57-31-14-5-15-32-57;1-3-19-43(20-4-1)63(44-21-5-2-6-22-44,46-35-36-51-49-26-8-7-24-47(49)48-25-9-10-27-50(48)55(51)40-46)45-23-17-18-41(38-45)61-59-33-16-13-30-54(59)56-39-42(34-37-60(56)61)62-57-31-14-11-28-52(57)53-29-12-15-32-58(53)62/h1-46H;1-40H.
What are the key properties of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane?
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane has a molecular weight of 1712.27 g/mol, XLogP of 26.98, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-diphenyl-triphenylen-2-ylsilane;triphenyl-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]phenyl]silane is sourced from PubChem (CID 163460584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).