4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran

C31H19BrO — CID 156687579

IUPAC4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(C2(c3cccc4c3oc3ccccc34)c3ccccc3-c3cc(Br)ccc32)c([2H])c1[2H]
InChIInChI=1S/C31H19BrO/c32-21-17-18-27-25(19-21)22-11-4-6-14-26(22)31(27,20-9-2-1-3-10-20)28-15-8-13-24-23-12-5-7-16-29(23)33-30(24)28/h1-19H/i1D,2D,3D,9D,10D
InChIKeyVIUQCIKYKOFCBH-MYWHSQMISA-N
MW492.43 g/mol
LogP8.71
Rot. Bonds2

About 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran

4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran (PubChem CID 156687579) has the molecular formula C31H19BrO and a molecular weight of 492.43 g/mol. Its IUPAC name is 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran
PubChem CID156687579
Molecular FormulaC31H19BrO
Molecular Weight492.43 g/mol
Exact Mass491.09
IUPAC Name4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(C2(c3cccc4c3oc3ccccc34)c3ccccc3-c3cc(Br)ccc32)c([2H])c1[2H]
InChIInChI=1S/C31H19BrO/c32-21-17-18-27-25(19-21)22-11-4-6-14-26(22)31(27,20-9-2-1-3-10-20)28-15-8-13-24-23-12-5-7-16-29(23)33-30(24)28/h1-19H/i1D,2D,3D,9D,10D
InChIKeyVIUQCIKYKOFCBH-MYWHSQMISA-N
XLogP8.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.43
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-bromo-9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)fluoren-9-yl]dibenzofuran
CID 156687550
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978
5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 118004741
9-dibenzofuran-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
CID 157051300
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
9-dibenzofuran-1-yl-3-N-naphthalen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenylfluorene-3,6-diamine;9-dibenzofuran-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine;9-dibenzofuran-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(2-phenylphenyl)fluorene-3,6-diamine
CID 159248377
3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine
CID 168791333
11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463559
9-dibenzofuran-4-yl-N,N-dinaphthalen-1-yl-9-phenylfluoren-2-amine;9-dibenzofuran-4-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-dibenzofuran-4-yl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157057124
1,3,4,5,6,7,8-heptadeuterio-N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-amine
CID 171451031
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
9-dibenzofuran-1-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-2-yl-N-phenylfluoren-3-amine;9-dibenzofuran-3-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine;9-dibenzofuran-4-yl-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-N-naphthalen-1-yl-N-phenylfluoren-3-amine
CID 158176424

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran?
The IUPAC name of 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran (CID 156687579) is 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran.
What is the SMILES notation for 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran?
The canonical SMILES for 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran is [2H]c1c([2H])c([2H])c(C2(c3cccc4c3oc3ccccc34)c3ccccc3-c3cc(Br)ccc32)c([2H])c1[2H].
What is the InChIKey of 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran?
The InChIKey is VIUQCIKYKOFCBH-MYWHSQMISA-N. The full InChI is InChI=1S/C31H19BrO/c32-21-17-18-27-25(19-21)22-11-4-6-14-26(22)31(27,20-9-2-1-3-10-20)28-15-8-13-24-23-12-5-7-16-29(23)33-30(24)28/h1-19H/i1D,2D,3D,9D,10D.
What are the key properties of 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran?
4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran has a molecular weight of 492.43 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-9-yl]dibenzofuran is sourced from PubChem (CID 156687579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).