2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole

C72H57BN4O2 — CID 147691123

IUPAC2-(2-methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole
SMILESB1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C3=C(C=C4C(=C3)C5=CC=CC=C5N4C6=CC=CC=C6)C7=C(C=C(C=C7)C8=CC=CC=N8)C)C9=C(C=C1C(=C9)C2=CC=CC=C2N1C1=CC=CC=C1)C1=C(C=C(C=C1)C1=CC=CC=N1)C
InChIInChI=1S/C72H57BN4O2/c1-46-37-48(65-27-17-19-35-74-65)31-33-55(46)61-44-69-63(57-25-13-15-29-67(57)76(69)53-21-9-7-10-22-53)42-59(61)50-39-51(41-52(40-50)73-78-71(3,4)72(5,6)79-73)60-43-64-58-26-14-16-30-68(58)77(54-23-11-8-12-24-54)70(64)45-62(60)56-34-32-49(38-47(56)2)66-28-18-20-36-75-66/h7-45H,1-6H3
InChIKeyGQZQVAUKYGTDCL-UHFFFAOYSA-N
MW1021.10 g/mol
LogP—
Rot. Bonds9

About 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole

2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 147691123) has the molecular formula C72H57BN4O2 and a molecular weight of 1021.10 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole
PubChem CID147691123
Molecular FormulaC72H57BN4O2
Molecular Weight1021.10 g/mol
Exact Mass1020.46
IUPAC Name2-(2-methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole
SMILESB1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C3=C(C=C4C(=C3)C5=CC=CC=C5N4C6=CC=CC=C6)C7=C(C=C(C=C7)C8=CC=CC=N8)C)C9=C(C=C1C(=C9)C2=CC=CC=C2N1C1=CC=CC=C1)C1=C(C=C(C=C1)C1=CC=CC=N1)C
InChIInChI=1S/C72H57BN4O2/c1-46-37-48(65-27-17-19-35-74-65)31-33-55(46)61-44-69-63(57-25-13-15-29-67(57)76(69)53-21-9-7-10-22-53)42-59(61)50-39-51(41-52(40-50)73-78-71(3,4)72(5,6)79-73)60-43-64-58-26-14-16-30-68(58)77(54-23-11-8-12-24-54)70(64)45-62(60)56-34-32-49(38-47(56)2)66-28-18-20-36-75-66/h7-45H,1-6H3
InChIKeyGQZQVAUKYGTDCL-UHFFFAOYSA-N
XLogP—
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms79
Complexity1870

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001021.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole (CID 147691123) is 2-(2-methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C3=C(C=C4C(=C3)C5=CC=CC=C5N4C6=CC=CC=C6)C7=C(C=C(C=C7)C8=CC=CC=N8)C)C9=C(C=C1C(=C9)C2=CC=CC=C2N1C1=CC=CC=C1)C1=C(C=C(C=C1)C1=CC=CC=N1)C.
What is the InChIKey of 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is GQZQVAUKYGTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H57BN4O2/c1-46-37-48(65-27-17-19-35-74-65)31-33-55(46)61-44-69-63(57-25-13-15-29-67(57)76(69)53-21-9-7-10-22-53)42-59(61)50-39-51(41-52(40-50)73-78-71(3,4)72(5,6)79-73)60-43-64-58-26-14-16-30-68(58)77(54-23-11-8-12-24-54)70(64)45-62(60)56-34-32-49(38-47(56)2)66-28-18-20-36-75-66/h7-45H,1-6H3.
What are the key properties of 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole?
2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 1021.10 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 147691123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).