2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene

C25H17Br — CID 177098978

IUPAC2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(Br)cc32)c([2H])c1[2H]
InChIInChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKeyWNXNWOBGPRKOJF-CRDOFXDFSA-N
MW407.38 g/mol
LogP6.81
Rot. Bonds2

About 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene

2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene (PubChem CID 177098978) has the molecular formula C25H17Br and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
PubChem CID177098978
Molecular FormulaC25H17Br
Molecular Weight407.38 g/mol
Exact Mass406.11
IUPAC Name2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
SMILES[2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(Br)cc32)c([2H])c1[2H]
InChIInChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKeyWNXNWOBGPRKOJF-CRDOFXDFSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.38
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-bromo-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 177098953
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
9,9-bis(2,3,4,5,6-pentadeuteriophenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 164783664
2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 164783545
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran
CID 156687579
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
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
CID 164783522

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene?
The IUPAC name of 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene (CID 177098978) is 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene?
The canonical SMILES for 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene is [2H]c1c([2H])c([2H])c(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccccc3-c3ccc(Br)cc32)c([2H])c1[2H].
What is the InChIKey of 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene?
The InChIKey is WNXNWOBGPRKOJF-CRDOFXDFSA-N. The full InChI is InChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D.
What are the key properties of 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene?
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene has a molecular weight of 407.38 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene is sourced from PubChem (CID 177098978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).