(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid

C24H18BBrO2 — CID 169023399

IUPAC(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid
SMILESCC1(c2ccc3ccccc3c2)c2ccccc2-c2cc(B(O)O)c(Br)cc21
InChIInChI=1S/C24H18BBrO2/c1-24(17-11-10-15-6-2-3-7-16(15)12-17)20-9-5-4-8-18(20)19-13-22(25(27)28)23(26)14-21(19)24/h2-14,27-28H,1H3
InChIKeyRNYOLHRPSYMTCK-UHFFFAOYSA-N
MW429.12 g/mol
LogP4.62
Rot. Bonds2

About (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid

(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid (PubChem CID 169023399) has the molecular formula C24H18BBrO2 and a molecular weight of 429.12 g/mol. Its IUPAC name is (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid.

Molecular Properties

Compound Name(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid
PubChem CID169023399
Molecular FormulaC24H18BBrO2
Molecular Weight429.12 g/mol
Exact Mass428.06
IUPAC Name(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid
SMILESCC1(c2ccc3ccccc3c2)c2ccccc2-c2cc(B(O)O)c(Br)cc21
InChIInChI=1S/C24H18BBrO2/c1-24(17-11-10-15-6-2-3-7-16(15)12-17)20-9-5-4-8-18(20)19-13-22(25(27)28)23(26)14-21(19)24/h2-14,27-28H,1H3
InChIKeyRNYOLHRPSYMTCK-UHFFFAOYSA-N
XLogP4.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.12
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene
CID 160654407
2-(9-methylfluoren-9-yl)phenanthren-9-ol
CID 122488888
ethane;9H-fluorene;11-methyl-11-[4-[4-(11-methylbenzo[b]fluoren-11-yl)phenoxy]phenyl]benzo[b]fluorene
CID 158914020
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
3'-bromo-9,9'-spirobi[fluorene]-2'-amine;naphthalen-2-ylboronic acid;3'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 162038952
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
9-(4-fluorophenyl)-9-methylfluorene
CID 71401006
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
2,6-dibromo-9-methyl-9-phenylfluorene
CID 167225075
9-(9,9-dimethylfluoren-3-yl)-9-methyl-10H-acridine
CID 153463073
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576

Frequently Asked Questions

What is the IUPAC name of (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid?
The IUPAC name of (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid (CID 169023399) is (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid.
What is the SMILES notation for (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid?
The canonical SMILES for (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid is CC1(c2ccc3ccccc3c2)c2ccccc2-c2cc(B(O)O)c(Br)cc21.
What is the InChIKey of (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid?
The InChIKey is RNYOLHRPSYMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BBrO2/c1-24(17-11-10-15-6-2-3-7-16(15)12-17)20-9-5-4-8-18(20)19-13-22(25(27)28)23(26)14-21(19)24/h2-14,27-28H,1H3.
What are the key properties of (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid?
(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid has a molecular weight of 429.12 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid is sourced from PubChem (CID 169023399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).