2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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

C118H149B2Br4N3O4 — CID 158307192

IUPAC2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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
SMILESCCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)c(C)c3)nc(-c3ccc(Br)c(C)c3)n2)cc1.CCCCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4c(C)cc(Br)cc4C)ccc3-c3ccc(-c4c(C)cc(Br)cc4C)cc32)cc1
InChIInChI=1S/C53H56Br2.C35H41Br2N3.C30H52B2O4/c1-7-9-11-13-15-39-17-23-43(24-18-39)53(44-25-19-40(20-26-44)16-14-12-10-8-2)49-33-41(51-35(3)29-45(54)30-36(51)4)21-27-47(49)48-28-22-42(34-50(48)53)52-37(5)31-46(55)32-38(52)6;1-4-5-6-7-8-9-10-11-12-13-14-27-15-17-28(18-16-27)33-38-34(29-19-21-31(36)25(2)23-29)40-35(39-33)30-20-22-32(37)26(3)24-30;1-11-13-15-17-19-23-21-26(32-35-29(7,8)30(9,10)36-32)24(20-18-16-14-12-2)22-25(23)31-33-27(3,4)28(5,6)34-31/h17-34H,7-16H2,1-6H3;15-24H,4-14H2,1-3H3;21-22H,11-20H2,1-10H3
InChIKeyGNFLZISIBFLKAC-UHFFFAOYSA-N
MW2014.75 g/mol
LogP34.40
Rot. Bonds40

About 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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

2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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 (PubChem CID 158307192) has the molecular formula C118H149B2Br4N3O4 and a molecular weight of 2014.75 g/mol. Its IUPAC name is 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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.

Molecular Properties

Compound Name2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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
PubChem CID158307192
Molecular FormulaC118H149B2Br4N3O4
Molecular Weight2014.75 g/mol
Exact Mass2009.85
IUPAC Name2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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
SMILESCCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)c(C)c3)nc(-c3ccc(Br)c(C)c3)n2)cc1.CCCCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4c(C)cc(Br)cc4C)ccc3-c3ccc(-c4c(C)cc(Br)cc4C)cc32)cc1
InChIInChI=1S/C53H56Br2.C35H41Br2N3.C30H52B2O4/c1-7-9-11-13-15-39-17-23-43(24-18-39)53(44-25-19-40(20-26-44)16-14-12-10-8-2)49-33-41(51-35(3)29-45(54)30-36(51)4)21-27-47(49)48-28-22-42(34-50(48)53)52-37(5)31-46(55)32-38(52)6;1-4-5-6-7-8-9-10-11-12-13-14-27-15-17-28(18-16-27)33-38-34(29-19-21-31(36)25(2)23-29)40-35(39-33)30-20-22-32(37)26(3)24-30;1-11-13-15-17-19-23-21-26(32-35-29(7,8)30(9,10)36-32)24(20-18-16-14-12-2)22-25(23)31-33-27(3,4)28(5,6)34-31/h17-34H,7-16H2,1-6H3;15-24H,4-14H2,1-3H3;21-22H,11-20H2,1-10H3
InChIKeyGNFLZISIBFLKAC-UHFFFAOYSA-N
XLogP34.40
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds40
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002014.75
LogP ≤ 534.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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 with MolForge

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Related Compounds

2,4-Bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;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 159992290
2-Bromo-9,9-difluorofluorene;2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161209487
2,4-Bis[4-(4-tert-butylphenyl)phenyl]-6-[4-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 58412102
2-(2',7'-Dibromo-9,9'-spirobi[fluorene]-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 68014585
2-[3-Bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 68190389
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-[4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531614
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531802
2,4,6-Tris(7-bromo-9,9-diethylfluoren-2-yl)-1,3,5-triazine
CID 89203500
2-(7-Bromo-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 90177102
2-(2'-Bromo-9,9'-spirobi[fluorene]-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 90335742
2-(7'-Bromospiro[cyclohexane-1,9'-fluorene]-4'-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507617
2-(7-Bromo-9-methyl-9-phenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507625

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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?
The IUPAC name of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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 158307192) is 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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.
What is the SMILES notation for 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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?
The canonical SMILES for 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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 is CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)c(C)c3)nc(-c3ccc(Br)c(C)c3)n2)cc1.CCCCCCc1cc(B2OC(C)(C)C(C)(C)O2)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(-c4c(C)cc(Br)cc4C)ccc3-c3ccc(-c4c(C)cc(Br)cc4C)cc32)cc1.
What is the InChIKey of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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?
The InChIKey is GNFLZISIBFLKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H56Br2.C35H41Br2N3.C30H52B2O4/c1-7-9-11-13-15-39-17-23-43(24-18-39)53(44-25-19-40(20-26-44)16-14-12-10-8-2)49-33-41(51-35(3)29-45(54)30-36(51)4)21-27-47(49)48-28-22-42(34-50(48)53)52-37(5)31-46(55)32-38(52)6;1-4-5-6-7-8-9-10-11-12-13-14-27-15-17-28(18-16-27)33-38-34(29-19-21-31(36)25(2)23-29)40-35(39-33)30-20-22-32(37)26(3)24-30;1-11-13-15-17-19-23-21-26(32-35-29(7,8)30(9,10)36-32)24(20-18-16-14-12-2)22-25(23)31-33-27(3,4)28(5,6)34-31/h17-34H,7-16H2,1-6H3;15-24H,4-14H2,1-3H3;21-22H,11-20H2,1-10H3.
What are the key properties of 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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?
2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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 has a molecular weight of 2014.75 g/mol, XLogP of 34.40, 40 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-bromo-2,6-dimethylphenyl)-9,9-bis(4-hexylphenyl)fluorene;2,4-bis(4-bromo-3-methylphenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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 is sourced from PubChem (CID 158307192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).