9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C241H303B3Br3N3O16 — CID 158866894

About 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158866894) has the molecular formula C241H303B3Br3N3O16 and a molecular weight of 3770.23 g/mol. Its IUPAC name is 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158866894
• Molecular Formula: C241H303B3Br3N3O16
• Molecular Weight: 3770.23 g/mol
• Exact Mass: 3765.08
• IUPAC Name: 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC1(CCC)c2cc(Br)ccc2-c2ccc(C#N)cc21.CCCCC(CC)COc1ccc(-c2cc(CBr)cc(-c3ccc(OCC(CC)CCCC)cc3)c2)cc1.CCCCC(CC)COc1ccc(-c2cc(CC3(Cc4cc(-c5ccc(OCC(CC)CCCC)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)c4)c4cc(Br)ccc4-c4ccc(C#N)cc43)cc(-c3ccc(COC(CC)CCCC)cc3)c2)cc1.CCCCC(CC)COc1ccc(-c2cc(CC3(Cc4cc(-c5ccc(OCC(CC)CCCC)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)c4)c4cc(C#N)ccc4-c4ccc(B5OC(C)(C)C(C)(C)O5)cc43)cc(-c3ccc(COC(CC)CCCC)cc3)c2)cc1
• InChI: InChI=1S/C90H112BNO6.C84H100BrNO4.C35H47BrO2.C20H20BrN.C12H24B2O4/c1-13-21-25-64(17-5)60-94-81-41-34-72(35-42-81)76-50-69(49-75(54-76)71-32-29-67(30-33-71)63-93-80(20-8)28-24-16-4)57-90(86-53-68(59-92)31-47-84(86)85-48-40-79(56-87(85)90)91-97-88(9,10)89(11,12)98-91)58-70-51-77(73-36-43-82(44-37-73)95-61-65(18-6)26-22-14-2)55-78(52-70)74-38-45-83(46-39-74)96-62-66(19-7)27-23-15-3;1-9-17-21-60(13-5)56-88-77-37-30-68(31-38-77)72-46-65(45-71(50-72)67-28-25-63(26-29-67)59-87-76(16-8)24-20-12-4)53-84(82-49-64(55-86)27-43-80(82)81-44-36-75(85)52-83(81)84)54-66-47-73(69-32-39-78(40-33-69)89-57-61(14-6)22-18-10-2)51-74(48-66)70-34-41-79(42-35-70)90-58-62(15-7)23-19-11-3;1-5-9-11-27(7-3)25-37-34-17-13-30(14-18-34)32-21-29(24-36)22-33(23-32)31-15-19-35(20-16-31)38-26-28(8-4)12-10-6-2;1-3-9-20(10-4-2)18-11-14(13-22)5-7-16(18)17-8-6-15(21)12-19(17)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h29-56,64-66,80H,13-28,57-58,60-63H2,1-12H3;25-52,60-62,76H,9-24,53-54,56-59H2,1-8H3;13-23,27-28H,5-12,24-26H2,1-4H3;5-8,11-12H,3-4,9-10H2,1-2H3;1-8H3
• InChIKey: JBIQPSHCYOWBRR-UHFFFAOYSA-N
• XLogP: 67.10
• TPSA: 219.05 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 95
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3770.23
LogP ≤ 5	67.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158866894) is 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC1(CCC)c2cc(Br)ccc2-c2ccc(C#N)cc21.CCCCC(CC)COc1ccc(-c2cc(CBr)cc(-c3ccc(OCC(CC)CCCC)cc3)c2)cc1.CCCCC(CC)COc1ccc(-c2cc(CC3(Cc4cc(-c5ccc(OCC(CC)CCCC)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)c4)c4cc(Br)ccc4-c4ccc(C#N)cc43)cc(-c3ccc(COC(CC)CCCC)cc3)c2)cc1.CCCCC(CC)COc1ccc(-c2cc(CC3(Cc4cc(-c5ccc(OCC(CC)CCCC)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)c4)c4cc(C#N)ccc4-c4ccc(B5OC(C)(C)C(C)(C)O5)cc43)cc(-c3ccc(COC(CC)CCCC)cc3)c2)cc1.

What is the InChIKey of 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is JBIQPSHCYOWBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H112BNO6.C84H100BrNO4.C35H47BrO2.C20H20BrN.C12H24B2O4/c1-13-21-25-64(17-5)60-94-81-41-34-72(35-42-81)76-50-69(49-75(54-76)71-32-29-67(30-33-71)63-93-80(20-8)28-24-16-4)57-90(86-53-68(59-92)31-47-84(86)85-48-40-79(56-87(85)90)91-97-88(9,10)89(11,12)98-91)58-70-51-77(73-36-43-82(44-37-73)95-61-65(18-6)26-22-14-2)55-78(52-70)74-38-45-83(46-39-74)96-62-66(19-7)27-23-15-3;1-9-17-21-60(13-5)56-88-77-37-30-68(31-38-77)72-46-65(45-71(50-72)67-28-25-63(26-29-67)59-87-76(16-8)24-20-12-4)53-84(82-49-64(55-86)27-43-80(82)81-44-36-75(85)52-83(81)84)54-66-47-73(69-32-39-78(40-33-69)89-57-61(14-6)22-18-10-2)51-74(48-66)70-34-41-79(42-35-70)90-58-62(15-7)23-19-11-3;1-5-9-11-27(7-3)25-37-34-17-13-30(14-18-34)32-21-29(24-36)22-33(23-32)31-15-19-35(20-16-31)38-26-28(8-4)12-10-6-2;1-3-9-20(10-4-2)18-11-14(13-22)5-7-16(18)17-8-6-15(21)12-19(17)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h29-56,64-66,80H,13-28,57-58,60-63H2,1-12H3;25-52,60-62,76H,9-24,53-54,56-59H2,1-8H3;13-23,27-28H,5-12,24-26H2,1-4H3;5-8,11-12H,3-4,9-10H2,1-2H3;1-8H3.

What are the key properties of 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3770.23 g/mol, XLogP of 67.10, 95 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-7-bromo-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]fluorene-2-carbonitrile;9-[[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]methyl]-9-[[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(heptan-3-yloxymethyl)phenyl]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluorene-2-carbonitrile;7-bromo-9,9-dipropylfluorene-2-carbonitrile;1-(bromomethyl)-3,5-bis[4-(2-ethylhexoxy)phenyl]benzene;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158866894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).