2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole

C171H116N6 — CID 159307111

IUPAC2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C60H40N2.C57H40N2.C54H36N2/c1-4-15-41(16-5-1)44-27-29-45(30-28-44)49-35-50(38-52(37-49)62-58-26-13-11-24-54(58)56-39-47(32-34-59(56)62)43-19-8-3-9-20-43)48-31-33-55-53-23-10-12-25-57(53)61(60(55)40-48)51-22-14-21-46(36-51)42-17-6-2-7-18-42;1-57(2)51-23-10-6-19-45(51)46-29-27-39(35-52(46)57)41-31-42(34-44(33-41)59-54-25-12-7-20-47(54)48-21-8-13-26-55(48)59)40-28-30-50-49-22-9-11-24-53(49)58(56(50)36-40)43-18-14-17-38(32-43)37-15-4-3-5-16-37;1-3-14-37(15-4-1)39-26-28-40(29-27-39)43-32-44(35-46(34-43)56-52-24-11-7-20-47(52)48-21-8-12-25-53(48)56)42-30-31-50-49-22-9-10-23-51(49)55(54(50)36-42)45-19-13-18-41(33-45)38-16-5-2-6-17-38/h1-40H;3-36H,1-2H3;1-36H
InChIKeyLCBBWNMECCHQCJ-UHFFFAOYSA-N
MW2254.85 g/mol
LogP45.95
Rot. Bonds18

About 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole

2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole (PubChem CID 159307111) has the molecular formula C171H116N6 and a molecular weight of 2254.85 g/mol. Its IUPAC name is 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
PubChem CID159307111
Molecular FormulaC171H116N6
Molecular Weight2254.85 g/mol
Exact Mass2252.93
IUPAC Name2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C60H40N2.C57H40N2.C54H36N2/c1-4-15-41(16-5-1)44-27-29-45(30-28-44)49-35-50(38-52(37-49)62-58-26-13-11-24-54(58)56-39-47(32-34-59(56)62)43-19-8-3-9-20-43)48-31-33-55-53-23-10-12-25-57(53)61(60(55)40-48)51-22-14-21-46(36-51)42-17-6-2-7-18-42;1-57(2)51-23-10-6-19-45(51)46-29-27-39(35-52(46)57)41-31-42(34-44(33-41)59-54-25-12-7-20-47(54)48-21-8-13-26-55(48)59)40-28-30-50-49-22-9-11-24-53(49)58(56(50)36-40)43-18-14-17-38(32-43)37-15-4-3-5-16-37;1-3-14-37(15-4-1)39-26-28-40(29-27-39)43-32-44(35-46(34-43)56-52-24-11-7-20-47(52)48-21-8-12-25-53(48)56)42-30-31-50-49-22-9-10-23-51(49)55(54(50)36-42)45-19-13-18-41(33-45)38-16-5-2-6-17-38/h1-40H;3-36H,1-2H3;1-36H
InChIKeyLCBBWNMECCHQCJ-UHFFFAOYSA-N
XLogP45.95
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms177
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002254.85
LogP ≤ 545.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole (CID 159307111) is 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc21.c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
The InChIKey is LCBBWNMECCHQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2.C57H40N2.C54H36N2/c1-4-15-41(16-5-1)44-27-29-45(30-28-44)49-35-50(38-52(37-49)62-58-26-13-11-24-54(58)56-39-47(32-34-59(56)62)43-19-8-3-9-20-43)48-31-33-55-53-23-10-12-25-57(53)61(60(55)40-48)51-22-14-21-46(36-51)42-17-6-2-7-18-42;1-57(2)51-23-10-6-19-45(51)46-29-27-39(35-52(46)57)41-31-42(34-44(33-41)59-54-25-12-7-20-47(54)48-21-8-13-26-55(48)59)40-28-30-50-49-22-9-11-24-53(49)58(56(50)36-40)43-18-14-17-38(32-43)37-15-4-3-5-16-37;1-3-14-37(15-4-1)39-26-28-40(29-27-39)43-32-44(35-46(34-43)56-52-24-11-7-20-47(52)48-21-8-12-25-53(48)56)42-30-31-50-49-22-9-10-23-51(49)55(54(50)36-42)45-19-13-18-41(33-45)38-16-5-2-6-17-38/h1-40H;3-36H,1-2H3;1-36H.
What are the key properties of 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole has a molecular weight of 2254.85 g/mol, XLogP of 45.95, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 159307111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).