2-(9H-fluoren-3-yl)-9,9-dimethylfluorene

C28H22 — CID 144953405

IUPAC2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc21
InChIInChI=1S/C28H22/c1-28(2)26-10-6-5-9-23(26)24-14-13-19(17-27(24)28)18-11-12-21-15-20-7-3-4-8-22(20)25(21)16-18/h3-14,16-17H,15H2,1-2H3
InChIKeyLOOJCLRXNBJPEA-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.23
Rot. Bonds1

About 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene

2-(9H-fluoren-3-yl)-9,9-dimethylfluorene (PubChem CID 144953405) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
PubChem CID144953405
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc21
InChIInChI=1S/C28H22/c1-28(2)26-10-6-5-9-23(26)24-14-13-19(17-27(24)28)18-11-12-21-15-20-7-3-4-8-22(20)25(21)16-18/h3-14,16-17H,15H2,1-2H3
InChIKeyLOOJCLRXNBJPEA-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3-[3-(9H-fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;toluene;2,9,9-trimethylfluorene
CID 144558249
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156550065
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene?
The IUPAC name of 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene (CID 144953405) is 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc21.
What is the InChIKey of 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene?
The InChIKey is LOOJCLRXNBJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-28(2)26-10-6-5-9-23(26)24-14-13-19(17-27(24)28)18-11-12-21-15-20-7-3-4-8-22(20)25(21)16-18/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene?
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene has a molecular weight of 358.48 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-3-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 144953405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).