2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene

C21H20 — CID 142381891

IUPAC2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC=CCC3)cc21
InChIInChI=1S/C21H20/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)15-8-4-3-5-9-15/h3-4,6-8,10-14H,5,9H2,1-2H3
InChIKeyKSGYNKQWANMPMH-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.73
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene

2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene (PubChem CID 142381891) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
PubChem CID142381891
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC=CCC3)cc21
InChIInChI=1S/C21H20/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)15-8-4-3-5-9-15/h3-4,6-8,10-14H,5,9H2,1-2H3
InChIKeyKSGYNKQWANMPMH-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 142381902
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine
CID 135162890
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
5-[4-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)phenyl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 91599426
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
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-cyclohepta-1,3-dien-1-yl-4-(9,9-dimethylfluoren-2-yl)-6-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 155576892
5-[9-(3-cyclohexa-1,3-dien-1-ylphenyl)carbazol-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 129136291
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene (CID 142381891) is 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(C3=CC=CCC3)cc21.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene?
The InChIKey is KSGYNKQWANMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-21(2)19-11-7-6-10-17(19)18-13-12-16(14-20(18)21)15-8-4-3-5-9-15/h3-4,6-8,10-14H,5,9H2,1-2H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene?
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene has a molecular weight of 272.39 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene is sourced from PubChem (CID 142381891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).