acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole

C19H15N — CID 144815716

IUPACacetylene;2-(9H-fluoren-1-yl)-2H-pyrrole
SMILESC#C.C1=CC(c2cccc3c2Cc2ccccc2-3)N=C1
InChIInChI=1S/C17H13N.C2H2/c1-2-6-13-12(5-1)11-16-14(13)7-3-8-15(16)17-9-4-10-18-17;1-2/h1-10,17H,11H2;1-2H
InChIKeyDULQMYSHPNDBIF-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.19
Rot. Bonds1

About acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole

acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole (PubChem CID 144815716) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole.

Molecular Properties

Compound Nameacetylene;2-(9H-fluoren-1-yl)-2H-pyrrole
PubChem CID144815716
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Nameacetylene;2-(9H-fluoren-1-yl)-2H-pyrrole
SMILESC#C.C1=CC(c2cccc3c2Cc2ccccc2-3)N=C1
InChIInChI=1S/C17H13N.C2H2/c1-2-6-13-12(5-1)11-16-14(13)7-3-8-15(16)17-9-4-10-18-17;1-2/h1-10,17H,11H2;1-2H
InChIKeyDULQMYSHPNDBIF-UHFFFAOYSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
CID 175851638
4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
CID 123562270
CID 123562270
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 150882021
Fluorenylsilane
CID 22104606
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379
1-(3-methylidenecyclohexyl)-9H-fluorene
CID 175175773
dichloro-cyclopenta-2,4-dien-1-yl-(9H-fluoren-1-yl)germane
CID 139654373

Frequently Asked Questions

What is the IUPAC name of acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole?
The IUPAC name of acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole (CID 144815716) is acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole.
What is the SMILES notation for acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole?
The canonical SMILES for acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole is C#C.C1=CC(c2cccc3c2Cc2ccccc2-3)N=C1.
What is the InChIKey of acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole?
The InChIKey is DULQMYSHPNDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N.C2H2/c1-2-6-13-12(5-1)11-16-14(13)7-3-8-15(16)17-9-4-10-18-17;1-2/h1-10,17H,11H2;1-2H.
What are the key properties of acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole?
acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole has a molecular weight of 257.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole is sourced from PubChem (CID 144815716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).