10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene

C25H16 — CID 157442256

IUPAC10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene
SMILESC#Cc1ccc2c(c1C#CC)-c1c(ccc3c1Cc1ccccc1-3)C2
InChIInChI=1S/C25H16/c1-3-7-21-16(4-2)10-11-18-14-19-12-13-22-20-9-6-5-8-17(20)15-23(22)25(19)24(18)21/h2,5-6,8-13H,14-15H2,1H3
InChIKeyWYXBTEPFVKZPPK-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.18
Rot. Bonds

About 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene

10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene (PubChem CID 157442256) has the molecular formula C25H16 and a molecular weight of 316.40 g/mol. Its IUPAC name is 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene.

Molecular Properties

Compound Name10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene
PubChem CID157442256
Molecular FormulaC25H16
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene
SMILESC#Cc1ccc2c(c1C#CC)-c1c(ccc3c1Cc1ccccc1-3)C2
InChIInChI=1S/C25H16/c1-3-7-21-16(4-2)10-11-18-14-19-12-13-22-20-9-6-5-8-17(20)15-23(22)25(19)24(18)21/h2,5-6,8-13H,14-15H2,1H3
InChIKeyWYXBTEPFVKZPPK-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.18
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

ethane;3-ethynyl-4-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-11,12-dihydroindeno[2,1-a]fluorene;10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene;3-ethynyl-4-prop-1-ynyl-6,12-dihydroindeno[1,2-b]fluorene;7-ethynyl-6-prop-1-ynyl-10,12-dihydroindeno[2,1-b]fluorene;5-ethynyl-4-prop-1-ynylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158174599
1,2-bis(2-ethynylphenyl)-9H-fluorene
CID 139911372
1-prop-1-ynyl-9H-fluorene
CID 151757411
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302
carbanide;tetrakis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);10,12-dihydroindeno[2,1-b]fluorene;ethane;propane;(yttrium)
CID 157436850
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739

Frequently Asked Questions

What is the IUPAC name of 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene?
The IUPAC name of 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene (CID 157442256) is 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene.
What is the SMILES notation for 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene?
The canonical SMILES for 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene is C#Cc1ccc2c(c1C#CC)-c1c(ccc3c1Cc1ccccc1-3)C2.
What is the InChIKey of 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene?
The InChIKey is WYXBTEPFVKZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16/c1-3-7-21-16(4-2)10-11-18-14-19-12-13-22-20-9-6-5-8-17(20)15-23(22)25(19)24(18)21/h2,5-6,8-13H,14-15H2,1H3.
What are the key properties of 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene?
10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene has a molecular weight of 316.40 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene is sourced from PubChem (CID 157442256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).