2,7-bis(prop-1-ynyl)-9H-fluorene;ethane

C23H26 — CID 90976164

IUPAC2,7-bis(prop-1-ynyl)-9H-fluorene;ethane
SMILESCC.CC.CC#Cc1ccc2c(c1)Cc1cc(C#CC)ccc1-2
InChIInChI=1S/C19H14.2C2H6/c1-3-5-14-7-9-18-16(11-14)13-17-12-15(6-4-2)8-10-19(17)18;2*1-2/h7-12H,13H2,1-2H3;2*1-2H3
InChIKeyZIYUFDYWIOTJPG-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.05
Rot. Bonds

About 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane

2,7-bis(prop-1-ynyl)-9H-fluorene;ethane (PubChem CID 90976164) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane.

Molecular Properties

Compound Name2,7-bis(prop-1-ynyl)-9H-fluorene;ethane
PubChem CID90976164
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name2,7-bis(prop-1-ynyl)-9H-fluorene;ethane
SMILESCC.CC.CC#Cc1ccc2c(c1)Cc1cc(C#CC)ccc1-2
InChIInChI=1S/C19H14.2C2H6/c1-3-5-14-7-9-18-16(11-14)13-17-12-15(6-4-2)8-10-19(17)18;2*1-2/h7-12H,13H2,1-2H3;2*1-2H3
InChIKeyZIYUFDYWIOTJPG-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,7-bis(prop-1-ynyl)-9H-fluorene
CID 15861923
ethane;2-methyl-7-prop-1-ynyl-9H-fluorene
CID 90768512
ethane;6-prop-1-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 172600376
7-prop-1-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 70295509
7-ethynyl-9H-fluoren-2-amine
CID 118494896
2-ethyl-7-[2-(4-fluorophenyl)ethynyl]-9H-fluorene
CID 139883583
2-[2-(4-fluorophenyl)ethynyl]-7-propyl-9H-fluorene
CID 22045484
4-prop-1-ynylbenzene-1,2-diamine
CID 129073415
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
9H-fluorene-2,7-diamine
CID 10679
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
3,6-bis(prop-1-ynyl)fluorene-9,9-dicarboxylic acid
CID 138687154

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane?
The IUPAC name of 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane (CID 90976164) is 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane.
What is the SMILES notation for 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane?
The canonical SMILES for 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane is CC.CC.CC#Cc1ccc2c(c1)Cc1cc(C#CC)ccc1-2.
What is the InChIKey of 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane?
The InChIKey is ZIYUFDYWIOTJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14.2C2H6/c1-3-5-14-7-9-18-16(11-14)13-17-12-15(6-4-2)8-10-19(17)18;2*1-2/h7-12H,13H2,1-2H3;2*1-2H3.
What are the key properties of 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane?
2,7-bis(prop-1-ynyl)-9H-fluorene;ethane has a molecular weight of 302.46 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(prop-1-ynyl)-9H-fluorene;ethane is sourced from PubChem (CID 90976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).