2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole

C84H59BF4N2O2 — CID 142347268

IUPAC2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole
SMILESCC1(C)OB(c2ccc(-c3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c3-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc(-c6ccccc6)cc54)cc3)cc2)OC1(C)C
InChIInChI=1S/C84H59BF4N2O2/c1-83(2)84(3,4)93-85(92-83)62-34-19-53(20-35-62)77-78(54-21-36-63(86)37-22-54)79(55-23-38-64(87)39-24-55)80(56-25-40-65(88)41-26-56)81(57-27-42-66(89)43-28-57)82(77)58-29-44-68(45-30-58)91-75-48-33-60(50-72(75)70-46-31-61(51-76(70)91)52-13-7-5-8-14-52)59-32-47-74-71(49-59)69-17-11-12-18-73(69)90(74)67-15-9-6-10-16-67/h5-51H,1-4H3
InChIKeyIKQMUTVFPLGQLI-UHFFFAOYSA-N
MW1215.21 g/mol
LogP22.07
Rot. Bonds11

About 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole

2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole (PubChem CID 142347268) has the molecular formula C84H59BF4N2O2 and a molecular weight of 1215.21 g/mol. Its IUPAC name is 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole
PubChem CID142347268
Molecular FormulaC84H59BF4N2O2
Molecular Weight1215.21 g/mol
Exact Mass1214.46
IUPAC Name2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole
SMILESCC1(C)OB(c2ccc(-c3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c3-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc(-c6ccccc6)cc54)cc3)cc2)OC1(C)C
InChIInChI=1S/C84H59BF4N2O2/c1-83(2)84(3,4)93-85(92-83)62-34-19-53(20-35-62)77-78(54-21-36-63(86)37-22-54)79(55-23-38-64(87)39-24-55)80(56-25-40-65(88)41-26-56)81(57-27-42-66(89)43-28-57)82(77)58-29-44-68(45-30-58)91-75-48-33-60(50-72(75)70-46-31-61(51-76(70)91)52-13-7-5-8-14-52)59-32-47-74-71(49-59)69-17-11-12-18-73(69)90(74)67-15-9-6-10-16-67/h5-51H,1-4H3
InChIKeyIKQMUTVFPLGQLI-UHFFFAOYSA-N
XLogP22.07
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.21
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole (CID 142347268) is 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole is CC1(C)OB(c2ccc(-c3c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c(-c4ccc(F)cc4)c3-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccc(-c6ccccc6)cc54)cc3)cc2)OC1(C)C.
What is the InChIKey of 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is IKQMUTVFPLGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H59BF4N2O2/c1-83(2)84(3,4)93-85(92-83)62-34-19-53(20-35-62)77-78(54-21-36-63(86)37-22-54)79(55-23-38-64(87)39-24-55)80(56-25-40-65(88)41-26-56)81(57-27-42-66(89)43-28-57)82(77)58-29-44-68(45-30-58)91-75-48-33-60(50-72(75)70-46-31-61(51-76(70)91)52-13-7-5-8-14-52)59-32-47-74-71(49-59)69-17-11-12-18-73(69)90(74)67-15-9-6-10-16-67/h5-51H,1-4H3.
What are the key properties of 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole?
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 1215.21 g/mol, XLogP of 22.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 142347268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).