2,7-dibromo-9-(3-methylphenyl)-9H-fluorene

C20H14Br2 — CID 157125078

IUPAC2,7-dibromo-9-(3-methylphenyl)-9H-fluorene
SMILESCc1cccc(C2c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C20H14Br2/c1-12-3-2-4-13(9-12)20-18-10-14(21)5-7-16(18)17-8-6-15(22)11-19(17)20/h2-11,20H,1H3
InChIKeyAOFRLPXMSUWNDI-UHFFFAOYSA-N
MW414.14 g/mol
LogP6.68
Rot. Bonds1

About 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene

2,7-dibromo-9-(3-methylphenyl)-9H-fluorene (PubChem CID 157125078) has the molecular formula C20H14Br2 and a molecular weight of 414.14 g/mol. Its IUPAC name is 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-9-(3-methylphenyl)-9H-fluorene
PubChem CID157125078
Molecular FormulaC20H14Br2
Molecular Weight414.14 g/mol
Exact Mass411.95
IUPAC Name2,7-dibromo-9-(3-methylphenyl)-9H-fluorene
SMILESCc1cccc(C2c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C20H14Br2/c1-12-3-2-4-13(9-12)20-18-10-14(21)5-7-16(18)17-8-6-15(22)11-19(17)20/h2-11,20H,1H3
InChIKeyAOFRLPXMSUWNDI-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene with MolForge

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Related Compounds

13-(3-methylphenyl)-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516616
1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
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(2S,5S)-2-(4-bromophenyl)-5-(3-methylphenyl)pyrrolidine
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2-methyl-3-(3-methylphenyl)oxirane
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CID 144877768
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
5-bromo-2-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635637
2-bromo-9H-fluoren-9-amine
CID 71174476
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
(4aR,5R,10bS)-9-bromo-5-(3-methylphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 129365866
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene?
The IUPAC name of 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene (CID 157125078) is 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene?
The canonical SMILES for 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene is Cc1cccc(C2c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene?
The InChIKey is AOFRLPXMSUWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2/c1-12-3-2-4-13(9-12)20-18-10-14(21)5-7-16(18)17-8-6-15(22)11-19(17)20/h2-11,20H,1H3.
What are the key properties of 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene?
2,7-dibromo-9-(3-methylphenyl)-9H-fluorene has a molecular weight of 414.14 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(3-methylphenyl)-9H-fluorene is sourced from PubChem (CID 157125078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).