3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane — IUPAC name, SMILES, InChIKey & properties

Name: 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane

3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane (PubChem CID 161071102) has the molecular formula C107H79B2BrCl2F6N10O4 and a molecular weight of 1855.30 g/mol. Its IUPAC name is 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name	3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
PubChem CID	161071102
Molecular Formula	C107H79B2BrCl2F6N10O4
Molecular Weight	1855.30 g/mol
Exact Mass	1852.49
IUPAC Name	3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
SMILES	CC1(C)OB(c2cccc3ccccc23)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21
InChI	InChI=1S/C36H21F2N5.C21H22BN3O2.C21H11ClF2N2.C16H19BO2.C13H6BrClF2/c37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16;22-13-5-7-18-16(11-13)15-10-12(4-6-17(15)21(18,23)24)14-2-1-3-19-20(14)26-9-8-25-19;1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-21H;5-14H,1-4H3;1-11H;5-11H,1-4H3;1-6H
InChIKey	UEQZCOTWKNSHKO-UHFFFAOYSA-N
XLogP	26.54
TPSA	165.82 Å²
H-Bond Donors
H-Bond Acceptors	14
Rotatable Bonds	9
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.30
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Analyze 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?

The IUPAC name of 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane (CID 161071102) is 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane.

What is the SMILES notation for 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?

The canonical SMILES for 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane is CC1(C)OB(c2cccc3ccccc23)OC1(C)C.CC1(C)OB(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(C)C.FC1(F)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(-c3cccc4nccnc34)ccc21.FC1(F)c2ccc(Cl)cc2-c2cc(Br)ccc21.

What is the InChIKey of 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?

The InChIKey is UEQZCOTWKNSHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21F2N5.C21H22BN3O2.C21H11ClF2N2.C16H19BO2.C13H6BrClF2/c37-36(38)29-16-14-24(26-12-7-13-31-32(26)40-19-18-39-31)20-27(29)28-21-25(15-17-30(28)36)35-42-33(22-8-3-1-4-9-22)41-34(43-35)23-10-5-2-6-11-23;1-20(2)21(3,4)27-22(26-20)19-24-17(15-11-7-5-8-12-15)23-18(25-19)16-13-9-6-10-14-16;22-13-5-7-18-16(11-13)15-10-12(4-6-17(15)21(18,23)24)14-2-1-3-19-20(14)26-9-8-25-19;1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)13(11,16)17/h1-21H;5-14H,1-4H3;1-11H;5-11H,1-4H3;1-6H.

What are the key properties of 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane?

Where does this data come from?

All data for 3-bromo-6-chloro-9,9-difluorofluorene;5-(6-chloro-9,9-difluorofluoren-3-yl)quinoxaline;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]quinoxaline;4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 161071102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).