2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C108H145BO2 — CID 169036257

IUPAC2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccccc9)cc8)cc7CCCCCC)cc6)cc5CCCCCC)cc4)cc3CCCCCC)cc2)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C108H145BO2/c1-13-21-29-38-50-91-75-100(92(51-39-30-22-14-2)74-99(91)84-60-58-83(59-61-84)82-48-46-37-47-49-82)85-62-64-86(65-63-85)101-76-94(53-41-32-24-16-4)102(77-93(101)52-40-31-23-15-3)87-66-68-88(69-67-87)103-78-96(55-43-34-26-18-6)104(79-95(103)54-42-33-25-17-5)89-70-72-90(73-71-89)105-80-98(57-45-36-28-20-8)106(81-97(105)56-44-35-27-19-7)109-110-107(9,10)108(11,12)111-109/h37,46-49,58-81H,13-36,38-45,50-57H2,1-12H3
InChIKeyQPOZHWFXFCRDAA-UHFFFAOYSA-N
MW1486.16 g/mol
LogP32.30
Rot. Bonds49

About 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 169036257) has the molecular formula C108H145BO2 and a molecular weight of 1486.16 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID169036257
Molecular FormulaC108H145BO2
Molecular Weight1486.16 g/mol
Exact Mass1485.13
IUPAC Name2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccccc9)cc8)cc7CCCCCC)cc6)cc5CCCCCC)cc4)cc3CCCCCC)cc2)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C108H145BO2/c1-13-21-29-38-50-91-75-100(92(51-39-30-22-14-2)74-99(91)84-60-58-83(59-61-84)82-48-46-37-47-49-82)85-62-64-86(65-63-85)101-76-94(53-41-32-24-16-4)102(77-93(101)52-40-31-23-15-3)87-66-68-88(69-67-87)103-78-96(55-43-34-26-18-6)104(79-95(103)54-42-33-25-17-5)89-70-72-90(73-71-89)105-80-98(57-45-36-28-20-8)106(81-97(105)56-44-35-27-19-7)109-110-107(9,10)108(11,12)111-109/h37,46-49,58-81H,13-36,38-45,50-57H2,1-12H3
InChIKeyQPOZHWFXFCRDAA-UHFFFAOYSA-N
XLogP32.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds49
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.16
LogP ≤ 532.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

N-[4-[(Z)-[2-(2,5-dihexyl-4-phenylphenyl)-7-phenylfluoren-9-ylidene]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158997348
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
2-(3-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11313863
2-(2-fluoro-3-nonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155733776
N-[4-(2-butyl-4-pentylphenyl)phenyl]-N-[4-(2,4-dibutylphenyl)phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 178088787
6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 100935063
3,4-difluoro-1-octyl-5-(4-phenylphenyl)-2-propylbenzene
CID 19107988
4,4,5,5-tetramethyl-2-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 122382855
2-[4-dodecyl-5-[3-dodecyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102195181
1-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-5-(4-methylphenyl)naphthalene
CID 123328178
4,4,5,5-tetramethyl-2-(3-pentyl-4-phenylsulfanylphenyl)-1,3,2-dioxaborolane
CID 145280891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 169036257) is 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccccc9)cc8)cc7CCCCCC)cc6)cc5CCCCCC)cc4)cc3CCCCCC)cc2)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QPOZHWFXFCRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H145BO2/c1-13-21-29-38-50-91-75-100(92(51-39-30-22-14-2)74-99(91)84-60-58-83(59-61-84)82-48-46-37-47-49-82)85-62-64-86(65-63-85)101-76-94(53-41-32-24-16-4)102(77-93(101)52-40-31-23-15-3)87-66-68-88(69-67-87)103-78-96(55-43-34-26-18-6)104(79-95(103)54-42-33-25-17-5)89-70-72-90(73-71-89)105-80-98(57-45-36-28-20-8)106(81-97(105)56-44-35-27-19-7)109-110-107(9,10)108(11,12)111-109/h37,46-49,58-81H,13-36,38-45,50-57H2,1-12H3.
What are the key properties of 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1486.16 g/mol, XLogP of 32.30, 49 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 169036257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).