1,2,3-tributyl-9H-fluorene

C25H34 — CID 90984374

IUPAC1,2,3-tributyl-9H-fluorene
SMILESCCCCc1cc2c(c(CCCC)c1CCCC)Cc1ccccc1-2
InChIInChI=1S/C25H34/c1-4-7-12-19-17-24-22-16-11-10-13-20(22)18-25(24)23(15-9-6-3)21(19)14-8-5-2/h10-11,13,16-17H,4-9,12,14-15,18H2,1-3H3
InChIKeyKTNPMSXZCBHVFQ-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.29
Rot. Bonds9

About 1,2,3-tributyl-9H-fluorene

1,2,3-tributyl-9H-fluorene (PubChem CID 90984374) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1,2,3-tributyl-9H-fluorene.

Molecular Properties

Compound Name1,2,3-tributyl-9H-fluorene
PubChem CID90984374
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1,2,3-tributyl-9H-fluorene
SMILESCCCCc1cc2c(c(CCCC)c1CCCC)Cc1ccccc1-2
InChIInChI=1S/C25H34/c1-4-7-12-19-17-24-22-16-11-10-13-20(22)18-25(24)23(15-9-6-3)21(19)14-8-5-2/h10-11,13,16-17H,4-9,12,14-15,18H2,1-3H3
InChIKeyKTNPMSXZCBHVFQ-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dibutyl-9H-fluoren-1-amine
CID 151540812
1-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-dihexyl-9H-fluorene
CID 22141601
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
1-hexyl-9H-fluoren-2-amine
CID 57359668
2-butyl-1-phenyl-9H-fluorene
CID 154085968
bis(9H-fluorene);pentane
CID 159146463
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
bis(9H-fluorene);methane;pentane
CID 158815702

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tributyl-9H-fluorene?
The IUPAC name of 1,2,3-tributyl-9H-fluorene (CID 90984374) is 1,2,3-tributyl-9H-fluorene.
What is the SMILES notation for 1,2,3-tributyl-9H-fluorene?
The canonical SMILES for 1,2,3-tributyl-9H-fluorene is CCCCc1cc2c(c(CCCC)c1CCCC)Cc1ccccc1-2.
What is the InChIKey of 1,2,3-tributyl-9H-fluorene?
The InChIKey is KTNPMSXZCBHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-4-7-12-19-17-24-22-16-11-10-13-20(22)18-25(24)23(15-9-6-3)21(19)14-8-5-2/h10-11,13,16-17H,4-9,12,14-15,18H2,1-3H3.
What are the key properties of 1,2,3-tributyl-9H-fluorene?
1,2,3-tributyl-9H-fluorene has a molecular weight of 334.55 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tributyl-9H-fluorene is sourced from PubChem (CID 90984374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).