2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene

C28H23Br — CID 160868651

IUPAC2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
SMILESCc1cccc(C2(c3cccc(C)c3)c3cc(C)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C28H23Br/c1-18-6-4-8-21(14-18)28(22-9-5-7-19(2)15-22)26-16-20(3)10-12-24(26)25-13-11-23(29)17-27(25)28/h4-17H,1-3H3
InChIKeySLLUTCQROASXKY-UHFFFAOYSA-N
MW439.40 g/mol
LogP7.74
Rot. Bonds2

About 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene

2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene (PubChem CID 160868651) has the molecular formula C28H23Br and a molecular weight of 439.40 g/mol. Its IUPAC name is 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene.

Molecular Properties

Compound Name2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
PubChem CID160868651
Molecular FormulaC28H23Br
Molecular Weight439.40 g/mol
Exact Mass438.10
IUPAC Name2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
SMILESCc1cccc(C2(c3cccc(C)c3)c3cc(C)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C28H23Br/c1-18-6-4-8-21(14-18)28(22-9-5-7-19(2)15-22)26-16-20(3)10-12-24(26)25-13-11-23(29)17-27(25)28/h4-17H,1-3H3
InChIKeySLLUTCQROASXKY-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
2,5-dibromo-9,9-bis(4-methylphenyl)fluorene
CID 91316230
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene?
The IUPAC name of 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene (CID 160868651) is 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene.
What is the SMILES notation for 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene?
The canonical SMILES for 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene is Cc1cccc(C2(c3cccc(C)c3)c3cc(C)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene?
The InChIKey is SLLUTCQROASXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Br/c1-18-6-4-8-21(14-18)28(22-9-5-7-19(2)15-22)26-16-20(3)10-12-24(26)25-13-11-23(29)17-27(25)28/h4-17H,1-3H3.
What are the key properties of 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene?
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene has a molecular weight of 439.40 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene is sourced from PubChem (CID 160868651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).