1-(3-propyl-7aH-inden-1-yl)-9H-fluorene

C25H22 — CID 173264164

IUPAC1-(3-propyl-7aH-inden-1-yl)-9H-fluorene
SMILESCCCC1=C2C=CC=CC2C(c2cccc3c2Cc2ccccc2-3)=C1
InChIInChI=1S/C25H22/c1-2-8-17-15-24(21-12-6-5-11-19(17)21)23-14-7-13-22-20-10-4-3-9-18(20)16-25(22)23/h3-7,9-15,21H,2,8,16H2,1H3
InChIKeyYPQPTWJMWAZWGZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.49
Rot. Bonds3

About 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene

1-(3-propyl-7aH-inden-1-yl)-9H-fluorene (PubChem CID 173264164) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(3-propyl-7aH-inden-1-yl)-9H-fluorene
PubChem CID173264164
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name1-(3-propyl-7aH-inden-1-yl)-9H-fluorene
SMILESCCCC1=C2C=CC=CC2C(c2cccc3c2Cc2ccccc2-3)=C1
InChIInChI=1S/C25H22/c1-2-8-17-15-24(21-12-6-5-11-19(17)21)23-14-7-13-22-20-10-4-3-9-18(20)16-25(22)23/h3-7,9-15,21H,2,8,16H2,1H3
InChIKeyYPQPTWJMWAZWGZ-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
N-ethyl-9H-fluoren-1-amine
CID 67613408
8-(9H-fluoren-1-yl)quinoline
CID 151254514
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane
CID 159210224
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
N,N-didecyl-9H-fluoren-1-amine
CID 151349271

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene?
The IUPAC name of 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene (CID 173264164) is 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene.
What is the SMILES notation for 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene?
The canonical SMILES for 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene is CCCC1=C2C=CC=CC2C(c2cccc3c2Cc2ccccc2-3)=C1.
What is the InChIKey of 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene?
The InChIKey is YPQPTWJMWAZWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-2-8-17-15-24(21-12-6-5-11-19(17)21)23-14-7-13-22-20-10-4-3-9-18(20)16-25(22)23/h3-7,9-15,21H,2,8,16H2,1H3.
What are the key properties of 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene?
1-(3-propyl-7aH-inden-1-yl)-9H-fluorene has a molecular weight of 322.45 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-7aH-inden-1-yl)-9H-fluorene is sourced from PubChem (CID 173264164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).