1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene

C21H20 — CID 19935999

IUPAC1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene
SMILESCc1ccc2c(c1)Cc1c-2ccc(C)c1CC1=CC=CC1
InChIInChI=1S/C21H20/c1-14-7-9-18-17(11-14)13-21-19(18)10-8-15(2)20(21)12-16-5-3-4-6-16/h3-5,7-11H,6,12-13H2,1-2H3
InChIKeyFSBFQGBMFUNRDZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.30
Rot. Bonds2

About 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene

1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene (PubChem CID 19935999) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Name1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene
PubChem CID19935999
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene
SMILESCc1ccc2c(c1)Cc1c-2ccc(C)c1CC1=CC=CC1
InChIInChI=1S/C21H20/c1-14-7-9-18-17(11-14)13-21-19(18)10-8-15(2)20(21)12-16-5-3-4-6-16/h3-5,7-11H,6,12-13H2,1-2H3
InChIKeyFSBFQGBMFUNRDZ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fluorene
CID 6853
3-Methylcholanthrene
CID 1674
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Acenaphthene
CID 6734
Benzo(J)Fluoranthene
CID 9152
Benzo(a)fluoranthene
CID 9146
11H-Benzo(a)fluorene
CID 9195
11H-Benzo(b)fluorene
CID 9201
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
7H-Benzo(c)fluorene
CID 9150

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene?
The IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene (CID 19935999) is 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene.
What is the SMILES notation for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene?
The canonical SMILES for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene is Cc1ccc2c(c1)Cc1c-2ccc(C)c1CC1=CC=CC1.
What is the InChIKey of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene?
The InChIKey is FSBFQGBMFUNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-14-7-9-18-17(11-14)13-21-19(18)10-8-15(2)20(21)12-16-5-3-4-6-16/h3-5,7-11H,6,12-13H2,1-2H3.
What are the key properties of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene?
1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene has a molecular weight of 272.39 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 19935999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).