2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene

C31H21Br — CID 177098953

IUPAC2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Br)ccc2-3)c([2H])c1[2H]
InChIInChI=1S/C31H21Br/c32-26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)31(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H/i1D,4D,5D,10D,11D
InChIKeyCMQWMZNNINVWGJ-ZWYOJXJXSA-N
MW478.44 g/mol
LogP8.48
Rot. Bonds3

About 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene

2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene (PubChem CID 177098953) has the molecular formula C31H21Br and a molecular weight of 478.44 g/mol. Its IUPAC name is 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
PubChem CID177098953
Molecular FormulaC31H21Br
Molecular Weight478.44 g/mol
Exact Mass477.11
IUPAC Name2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Br)ccc2-3)c([2H])c1[2H]
InChIInChI=1S/C31H21Br/c32-26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)31(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H/i1D,4D,5D,10D,11D
InChIKeyCMQWMZNNINVWGJ-ZWYOJXJXSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.44
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 164783545
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 164737881
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737911
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
9-[4-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracene
CID 164737933
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline
CID 160581695
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
CID 171452671

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
The IUPAC name of 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene (CID 177098953) is 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene.
What is the SMILES notation for 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
The canonical SMILES for 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(Br)ccc2-3)c([2H])c1[2H].
What is the InChIKey of 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
The InChIKey is CMQWMZNNINVWGJ-ZWYOJXJXSA-N. The full InChI is InChI=1S/C31H21Br/c32-26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)31(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H/i1D,4D,5D,10D,11D.
What are the key properties of 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene has a molecular weight of 478.44 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene is sourced from PubChem (CID 177098953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).