3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

C166H115N7Si — CID 161117592

IUPAC3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C#N)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc21
InChIInChI=1S/C63H46N2Si.C57H38N2.C46H31N3/c1-63(2)57-30-15-12-27-51(57)52-36-35-46(42-58(52)63)65-60-32-17-14-29-54(60)56-40-44(34-38-62(56)65)43-33-37-61-55(39-43)53-28-13-16-31-59(53)64(61)45-19-18-26-50(41-45)66(47-20-6-3-7-21-47,48-22-8-4-9-23-48)49-24-10-5-11-25-49;1-57(2)51-20-10-7-17-44(51)45-28-26-38(34-52(45)57)59-54-22-12-9-19-47(54)50-32-36(24-30-56(50)59)35-23-29-55-49(31-35)46-18-8-11-21-53(46)58(55)37-25-27-43-41-15-4-3-13-39(41)40-14-5-6-16-42(40)48(43)33-37;1-46(2)40-15-6-3-12-34(40)35-21-20-33(27-41(35)46)49-43-17-8-5-14-37(43)39-26-31(19-23-45(39)49)30-18-22-44-38(25-30)36-13-4-7-16-42(36)48(44)32-11-9-10-29(24-32)28-47/h3-42H,1-2H3;3-34H,1-2H3;3-27H,1-2H3
InChIKeyUKNDONNEINRPFU-UHFFFAOYSA-N
MW2235.88 g/mol
LogP40.27
Rot. Bonds13

About 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole

3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (PubChem CID 161117592) has the molecular formula C166H115N7Si and a molecular weight of 2235.88 g/mol. Its IUPAC name is 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
PubChem CID161117592
Molecular FormulaC166H115N7Si
Molecular Weight2235.88 g/mol
Exact Mass2233.90
IUPAC Name3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C#N)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc21
InChIInChI=1S/C63H46N2Si.C57H38N2.C46H31N3/c1-63(2)57-30-15-12-27-51(57)52-36-35-46(42-58(52)63)65-60-32-17-14-29-54(60)56-40-44(34-38-62(56)65)43-33-37-61-55(39-43)53-28-13-16-31-59(53)64(61)45-19-18-26-50(41-45)66(47-20-6-3-7-21-47,48-22-8-4-9-23-48)49-24-10-5-11-25-49;1-57(2)51-20-10-7-17-44(51)45-28-26-38(34-52(45)57)59-54-22-12-9-19-47(54)50-32-36(24-30-56(50)59)35-23-29-55-49(31-35)46-18-8-11-21-53(46)58(55)37-25-27-43-41-15-4-3-13-39(41)40-14-5-6-16-42(40)48(43)33-37;1-46(2)40-15-6-3-12-34(40)35-21-20-33(27-41(35)46)49-43-17-8-5-14-37(43)39-26-31(19-23-45(39)49)30-18-22-44-38(25-30)36-13-4-7-16-42(36)48(44)32-11-9-10-29(24-32)28-47/h3-42H,1-2H3;3-34H,1-2H3;3-27H,1-2H3
InChIKeyUKNDONNEINRPFU-UHFFFAOYSA-N
XLogP40.27
TPSA53.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002235.88
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 159887872
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole;triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 157370354
3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 159265297
[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165164081
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 158311970
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[4-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
CID 163423983
3-[4-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;[3-[4-[3-(7,7-dimethyl-3-phenylindeno[1,2-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 158838124

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole (CID 161117592) is 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C#N)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc21.
What is the InChIKey of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
The InChIKey is UKNDONNEINRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2Si.C57H38N2.C46H31N3/c1-63(2)57-30-15-12-27-51(57)52-36-35-46(42-58(52)63)65-60-32-17-14-29-54(60)56-40-44(34-38-62(56)65)43-33-37-61-55(39-43)53-28-13-16-31-59(53)64(61)45-19-18-26-50(41-45)66(47-20-6-3-7-21-47,48-22-8-4-9-23-48)49-24-10-5-11-25-49;1-57(2)51-20-10-7-17-44(51)45-28-26-38(34-52(45)57)59-54-22-12-9-19-47(54)50-32-36(24-30-56(50)59)35-23-29-55-49(31-35)46-18-8-11-21-53(46)58(55)37-25-27-43-41-15-4-3-13-39(41)40-14-5-6-16-42(40)48(43)33-37;1-46(2)40-15-6-3-12-34(40)35-21-20-33(27-41(35)46)49-43-17-8-5-14-37(43)39-26-31(19-23-45(39)49)30-18-22-44-38(25-30)36-13-4-7-16-42(36)48(44)32-11-9-10-29(24-32)28-47/h3-42H,1-2H3;3-34H,1-2H3;3-27H,1-2H3.
What are the key properties of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole?
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole has a molecular weight of 2235.88 g/mol, XLogP of 40.27, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 161117592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).