9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole

C135H88N10OSi — CID 163832748

IUPAC9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2oc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C54H38N2Si.C42H26N2O.C39H24N6/c1-4-20-39(21-5-1)57(40-22-6-2-7-23-40,41-24-8-3-9-25-41)42-36-37-48-47-30-14-19-35-53(47)56(54(48)38-42)52-34-18-13-29-46(52)45-28-12-17-33-51(45)55-49-31-15-10-26-43(49)44-27-11-16-32-50(44)55;1-7-19-36-28(13-1)29-14-2-8-20-37(29)43(36)27-25-34(42-35(26-27)33-18-6-12-24-41(33)45-42)32-17-5-11-23-40(32)44-38-21-9-3-15-30(38)31-16-4-10-22-39(31)44;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45/h1-38H;1-26H;1-24H
InChIKeyOFBVFTALXPAZSD-UHFFFAOYSA-N
MW1894.34 g/mol
LogP31.54
Rot. Bonds13

About 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole

9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 163832748) has the molecular formula C135H88N10OSi and a molecular weight of 1894.34 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID163832748
Molecular FormulaC135H88N10OSi
Molecular Weight1894.34 g/mol
Exact Mass1892.69
IUPAC Name9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2oc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C54H38N2Si.C42H26N2O.C39H24N6/c1-4-20-39(21-5-1)57(40-22-6-2-7-23-40,41-24-8-3-9-25-41)42-36-37-48-47-30-14-19-35-53(47)56(54(48)38-42)52-34-18-13-29-46(52)45-28-12-17-33-51(45)55-49-31-15-10-26-43(49)44-27-11-16-32-50(44)55;1-7-19-36-28(13-1)29-14-2-8-20-37(29)43(36)27-25-34(42-35(26-27)33-18-6-12-24-41(33)45-42)32-17-5-11-23-40(32)44-38-21-9-3-15-30(38)31-16-4-10-22-39(31)44;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45/h1-38H;1-26H;1-24H
InChIKeyOFBVFTALXPAZSD-UHFFFAOYSA-N
XLogP31.54
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001894.34
LogP ≤ 531.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 163832748) is 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2oc2ccccc23)c1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is OFBVFTALXPAZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si.C42H26N2O.C39H24N6/c1-4-20-39(21-5-1)57(40-22-6-2-7-23-40,41-24-8-3-9-25-41)42-36-37-48-47-30-14-19-35-53(47)56(54(48)38-42)52-34-18-13-29-46(52)45-28-12-17-33-51(45)55-49-31-15-10-26-43(49)44-27-11-16-32-50(44)55;1-7-19-36-28(13-1)29-14-2-8-20-37(29)43(36)27-25-34(42-35(26-27)33-18-6-12-24-41(33)45-42)32-17-5-11-23-40(32)44-38-21-9-3-15-30(38)31-16-4-10-22-39(31)44;1-7-19-31-25(13-1)26-14-2-8-20-32(26)43(31)37-40-38(44-33-21-9-3-15-27(33)28-16-4-10-22-34(28)44)42-39(41-37)45-35-23-11-5-17-29(35)30-18-6-12-24-36(30)45/h1-38H;1-26H;1-24H.
What are the key properties of 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1894.34 g/mol, XLogP of 31.54, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole;[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-2-yl]-triphenylsilane;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 163832748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).