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

C31H22 — CID 164783545

IUPAC2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c1[2H]
InChIInChI=1S/C31H22/c1-4-12-23(13-5-1)24-20-21-28-27-18-10-11-19-29(27)31(30(28)22-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H/i1D,4D,5D,12D,13D
InChIKeyGOENSWLRVPAREA-RJUHWWGZSA-N
MW399.55 g/mol
LogP7.72
Rot. Bonds3

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

2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene (PubChem CID 164783545) has the molecular formula C31H22 and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
PubChem CID164783545
Molecular FormulaC31H22
Molecular Weight399.55 g/mol
Exact Mass399.20
IUPAC Name2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c1[2H]
InChIInChI=1S/C31H22/c1-4-12-23(13-5-1)24-20-21-28-27-18-10-11-19-29(27)31(30(28)22-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H/i1D,4D,5D,12D,13D
InChIKeyGOENSWLRVPAREA-RJUHWWGZSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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-7-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 177098953
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
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
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
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
9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171452610
9-(3-chlorophenyl)-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluorene
CID 176759908
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 171451967
2-(2,3,4,5,6-pentadeuteriophenyl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 58273822

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
The IUPAC name of 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene (CID 164783545) is 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene.
What is the SMILES notation for 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
The canonical SMILES for 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c1[2H].
What is the InChIKey of 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
The InChIKey is GOENSWLRVPAREA-RJUHWWGZSA-N. The full InChI is InChI=1S/C31H22/c1-4-12-23(13-5-1)24-20-21-28-27-18-10-11-19-29(27)31(30(28)22-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-22H/i1D,4D,5D,12D,13D.
What are the key properties of 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene?
2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene has a molecular weight of 399.55 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene is sourced from PubChem (CID 164783545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).