4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene

C28H31Br — CID 166464533

IUPAC4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(c1ccccc1)c1cc(C(C)(C)C)cc(Br)c1-2
InChIInChI=1S/C28H31Br/c1-26(2,3)19-13-14-21-22(15-19)28(7,18-11-9-8-10-12-18)23-16-20(27(4,5)6)17-24(29)25(21)23/h8-17H,1-7H3
InChIKeyYFGZTAWFVFNKDJ-UHFFFAOYSA-N
MW447.46 g/mol
LogP8.38
Rot. Bonds1

About 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene

4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene (PubChem CID 166464533) has the molecular formula C28H31Br and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene.

Molecular Properties

Compound Name4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene
PubChem CID166464533
Molecular FormulaC28H31Br
Molecular Weight447.46 g/mol
Exact Mass446.16
IUPAC Name4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(c1ccccc1)c1cc(C(C)(C)C)cc(Br)c1-2
InChIInChI=1S/C28H31Br/c1-26(2,3)19-13-14-21-22(15-19)28(7,18-11-9-8-10-12-18)23-16-20(27(4,5)6)17-24(29)25(21)23/h8-17H,1-7H3
InChIKeyYFGZTAWFVFNKDJ-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2,7,9-trimethyl-9-phenylfluorene
CID 166464478
2,6-dibromo-9-methyl-9-phenylfluorene
CID 167225075
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170141356
N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453113
1-[3,5-bis(2-bromophenyl)phenyl]-2-bromo-4-tert-butylbenzene
CID 134191319
N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453091
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene?
The IUPAC name of 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene (CID 166464533) is 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene.
What is the SMILES notation for 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene?
The canonical SMILES for 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene is CC(C)(C)c1ccc2c(c1)C(C)(c1ccccc1)c1cc(C(C)(C)C)cc(Br)c1-2.
What is the InChIKey of 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene?
The InChIKey is YFGZTAWFVFNKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Br/c1-26(2,3)19-13-14-21-22(15-19)28(7,18-11-9-8-10-12-18)23-16-20(27(4,5)6)17-24(29)25(21)23/h8-17H,1-7H3.
What are the key properties of 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene?
4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene has a molecular weight of 447.46 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,7-ditert-butyl-9-methyl-9-phenylfluorene is sourced from PubChem (CID 166464533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).