[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane

C79H50N6OSi — CID 176725053

IUPAC[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4n4c5ccc6c7ccccc7oc6c5nc34)c2)cc1
InChIInChI=1S/C79H50N6OSi/c1-3-23-55(24-4-1)87(56-25-5-2-6-26-56,57-27-19-21-51(47-57)81-71-39-17-11-33-63(71)66-49-53(41-44-72(66)81)82-67-35-13-7-29-59(67)60-30-8-14-36-68(60)82)58-28-20-22-52(48-58)84-73-45-42-54(83-69-37-15-9-31-61(69)62-32-10-16-38-70(62)83)50-75(73)85-74-46-43-65-64-34-12-18-40-76(64)86-78(65)77(74)80-79(84)85/h1-50H
InChIKeyYBZDGWZVJAHQSF-UHFFFAOYSA-N
MW1127.40 g/mol
LogP17.00
Rot. Bonds8

About [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane

[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane (PubChem CID 176725053) has the molecular formula C79H50N6OSi and a molecular weight of 1127.40 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane
PubChem CID176725053
Molecular FormulaC79H50N6OSi
Molecular Weight1127.40 g/mol
Exact Mass1126.38
IUPAC Name[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4n4c5ccc6c7ccccc7oc6c5nc34)c2)cc1
InChIInChI=1S/C79H50N6OSi/c1-3-23-55(24-4-1)87(56-25-5-2-6-26-56,57-27-19-21-51(47-57)81-71-39-17-11-33-63(71)66-49-53(41-44-72(66)81)82-67-35-13-7-29-59(67)60-30-8-14-36-68(60)82)58-28-20-22-52(48-58)84-73-45-42-54(83-69-37-15-9-31-61(69)62-32-10-16-38-70(62)83)50-75(73)85-74-46-43-65-64-34-12-18-40-76(64)86-78(65)77(74)80-79(84)85/h1-50H
InChIKeyYBZDGWZVJAHQSF-UHFFFAOYSA-N
XLogP17.00
TPSA50.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.40
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane with MolForge

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Related Compounds

[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
CID 169290711
[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588195
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923359
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842671
[3-[2-(2-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588280
[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-bromophenyl)-diphenylsilane
CID 140842642
[2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-5-yl]-dibenzofuran-4-yl-diphenylsilane
CID 140924385
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
[3-[2-(3-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588714

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane?
The IUPAC name of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane (CID 176725053) is [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane.
What is the SMILES notation for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane?
The canonical SMILES for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c2cccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4n4c5ccc6c7ccccc7oc6c5nc34)c2)cc1.
What is the InChIKey of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane?
The InChIKey is YBZDGWZVJAHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H50N6OSi/c1-3-23-55(24-4-1)87(56-25-5-2-6-26-56,57-27-19-21-51(47-57)81-71-39-17-11-33-63(71)66-49-53(41-44-72(66)81)82-67-35-13-7-29-59(67)60-30-8-14-36-68(60)82)58-28-20-22-52(48-58)84-73-45-42-54(83-69-37-15-9-31-61(69)62-32-10-16-38-70(62)83)50-75(73)85-74-46-43-65-64-34-12-18-40-76(64)86-78(65)77(74)80-79(84)85/h1-50H.
What are the key properties of [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane?
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane has a molecular weight of 1127.40 g/mol, XLogP of 17.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 176725053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).