2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C25H26BBrO2 — CID 143729801

IUPAC2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)c2cc(Br)ccc2-c2c1cc(B1OC(C)(C)C(C)(C)O1)c1ccccc21
InChIInChI=1S/C25H26BBrO2/c1-23(2)19-13-15(27)11-12-18(19)22-17-10-8-7-9-16(17)21(14-20(22)23)26-28-24(3,4)25(5,6)29-26/h7-14H,1-6H3
InChIKeyWUFYKYCFJLJKIF-UHFFFAOYSA-N
MW449.20 g/mol
LogP6.21
Rot. Bonds1

About 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 143729801) has the molecular formula C25H26BBrO2 and a molecular weight of 449.20 g/mol. Its IUPAC name is 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID143729801
Molecular FormulaC25H26BBrO2
Molecular Weight449.20 g/mol
Exact Mass448.12
IUPAC Name2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)c2cc(Br)ccc2-c2c1cc(B1OC(C)(C)C(C)(C)O1)c1ccccc21
InChIInChI=1S/C25H26BBrO2/c1-23(2)19-13-15(27)11-12-18(19)22-17-10-8-7-9-16(17)21(14-20(22)23)26-28-24(3,4)25(5,6)29-26/h7-14H,1-6H3
InChIKeyWUFYKYCFJLJKIF-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.20
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140892174
4,4,5,5-tetramethyl-2-(12,12,15-trimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,2-dioxaborolane
CID 58479663
2-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]triphenylene;2-bromotriphenylene;4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
CID 161045920
2-(24,24-dimethyl-3,10-diphenyl-21-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2,4,6,8,10,12,14,16(27),17(25),18(23),19,21-tridecaenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142347613
6,16-dibromo-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58219924
7,7-dimethyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24,26,28-tetradecaene
CID 142290461
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
3-bromo-7,7-dimethylbenzo[c]fluoren-5-ol
CID 68526611
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162105007
9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 130288485
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 143729801) is 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)c2cc(Br)ccc2-c2c1cc(B1OC(C)(C)C(C)(C)O1)c1ccccc21.
What is the InChIKey of 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WUFYKYCFJLJKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BBrO2/c1-23(2)19-13-15(27)11-12-18(19)22-17-10-8-7-9-16(17)21(14-20(22)23)26-28-24(3,4)25(5,6)29-26/h7-14H,1-6H3.
What are the key properties of 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 449.20 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 143729801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).