2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen

C108H134BBr3O2 — CID 161190973

IUPAC2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen
SMILESCC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C40H43BO2.C34H30Br2.C34H31Br.15H2/c1-7-9-10-11-15-30-20-24-32(25-21-30)40(31-22-18-29(14-8-2)19-23-31)36-17-13-12-16-34(36)35-27-26-33(28-37(35)40)41-42-38(3,4)39(5,6)43-41;1-3-5-6-7-9-25-12-16-27(17-13-25)34(26-14-10-24(8-4-2)11-15-26)32-22-28(35)18-20-30(32)31-21-19-29(36)23-33(31)34;1-3-5-6-7-11-26-16-20-28(21-17-26)34(27-18-14-25(10-4-2)15-19-27)32-13-9-8-12-30(32)31-23-22-29(35)24-33(31)34;;;;;;;;;;;;;;;/h12-13,16-28H,7,9-11,15H2,1-6H3;10-23H,3,5-7,9H2,1-2H3;8-9,12-24H,3,5-7,11H2,1-2H3;15*1H
InChIKeyUTSGSKFGMVYOMZ-UHFFFAOYSA-N
MW1714.78 g/mol
LogP31.91
Rot. Bonds22

About 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen

2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen (PubChem CID 161190973) has the molecular formula C108H134BBr3O2 and a molecular weight of 1714.78 g/mol. Its IUPAC name is 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen.

Molecular Properties

Compound Name2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen
PubChem CID161190973
Molecular FormulaC108H134BBr3O2
Molecular Weight1714.78 g/mol
Exact Mass1710.80
IUPAC Name2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen
SMILESCC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C40H43BO2.C34H30Br2.C34H31Br.15H2/c1-7-9-10-11-15-30-20-24-32(25-21-30)40(31-22-18-29(14-8-2)19-23-31)36-17-13-12-16-34(36)35-27-26-33(28-37(35)40)41-42-38(3,4)39(5,6)43-41;1-3-5-6-7-9-25-12-16-27(17-13-25)34(26-14-10-24(8-4-2)11-15-26)32-22-28(35)18-20-30(32)31-21-19-29(36)23-33(31)34;1-3-5-6-7-11-26-16-20-28(21-17-26)34(27-18-14-25(10-4-2)15-19-27)32-13-9-8-12-30(32)31-23-22-29(35)24-33(31)34;;;;;;;;;;;;;;;/h12-13,16-28H,7,9-11,15H2,1-6H3;10-23H,3,5-7,9H2,1-2H3;8-9,12-24H,3,5-7,11H2,1-2H3;15*1H
InChIKeyUTSGSKFGMVYOMZ-UHFFFAOYSA-N
XLogP31.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001714.78
LogP ≤ 531.91
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen with MolForge

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Related Compounds

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[4-[3,7-bis[9,9-bis(4-hexylphenyl)fluoren-2-yl]phenoxazin-10-yl]phenyl]-trimethylsilane;3,7-bis[9,9-bis(4-hexylphenyl)fluoren-2-yl]-10-phenylphenoxazine;2-[9,9-bis(4-hexylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;[4-(3,7-dibromophenoxazin-10-yl)phenyl]-trimethylsilane;trimethyl-(4-phenoxazin-10-ylphenyl)silane;9H-xanthene
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CID 102346967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?
The IUPAC name of 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen (CID 161190973) is 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen.
What is the SMILES notation for 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?
The canonical SMILES for 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen is CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CC#Cc1ccc(C2(c3ccc(CCCCCC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?
The InChIKey is UTSGSKFGMVYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43BO2.C34H30Br2.C34H31Br.15H2/c1-7-9-10-11-15-30-20-24-32(25-21-30)40(31-22-18-29(14-8-2)19-23-31)36-17-13-12-16-34(36)35-27-26-33(28-37(35)40)41-42-38(3,4)39(5,6)43-41;1-3-5-6-7-9-25-12-16-27(17-13-25)34(26-14-10-24(8-4-2)11-15-26)32-22-28(35)18-20-30(32)31-21-19-29(36)23-33(31)34;1-3-5-6-7-11-26-16-20-28(21-17-26)34(27-18-14-25(10-4-2)15-19-27)32-13-9-8-12-30(32)31-23-22-29(35)24-33(31)34;;;;;;;;;;;;;;;/h12-13,16-28H,7,9-11,15H2,1-6H3;10-23H,3,5-7,9H2,1-2H3;8-9,12-24H,3,5-7,11H2,1-2H3;15*1H.
What are the key properties of 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?
2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen has a molecular weight of 1714.78 g/mol, XLogP of 31.91, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2,7-dibromo-9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluorene;2-[9-(4-hexylphenyl)-9-(4-prop-1-ynylphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen is sourced from PubChem (CID 161190973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).