2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one

C27H18N2O — CID 15888532

IUPAC2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one
SMILESO=C1c2cc(/C=C/c3ccncc3)ccc2-c2ccc(/C=C/c3ccncc3)cc21
InChIInChI=1S/C27H18N2O/c30-27-25-17-21(3-1-19-9-13-28-14-10-19)5-7-23(25)24-8-6-22(18-26(24)27)4-2-20-11-15-29-16-12-20/h1-18H/b3-1+,4-2+
InChIKeyYAAMXNIZRMZZLC-ZPUQHVIOSA-N
MW386.45 g/mol
LogP6.03
Rot. Bonds4

About 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one

2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one (PubChem CID 15888532) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one
PubChem CID15888532
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one
SMILESO=C1c2cc(/C=C/c3ccncc3)ccc2-c2ccc(/C=C/c3ccncc3)cc21
InChIInChI=1S/C27H18N2O/c30-27-25-17-21(3-1-19-9-13-28-14-10-19)5-7-23(25)24-8-6-22(18-26(24)27)4-2-20-11-15-29-16-12-20/h1-18H/b3-1+,4-2+
InChIKeyYAAMXNIZRMZZLC-ZPUQHVIOSA-N
XLogP6.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine
CID 177487151
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
4-[(Z)-2-(3,4-dimethylphenyl)ethenyl]pyridine
CID 142200256
4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-(2-pyridin-4-ylethenyl)benzene-1,2-diol;hydrobromide
CID 173142705
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
CID 142469132
9-chloro-3-[(E)-2-pyridin-4-ylethenyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 69218688
7-acetyl-9-oxofluorene-2-carbaldehyde
CID 145345524
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
CID 101213643

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one?
The IUPAC name of 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one (CID 15888532) is 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one is O=C1c2cc(/C=C/c3ccncc3)ccc2-c2ccc(/C=C/c3ccncc3)cc21.
What is the InChIKey of 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one?
The InChIKey is YAAMXNIZRMZZLC-ZPUQHVIOSA-N. The full InChI is InChI=1S/C27H18N2O/c30-27-25-17-21(3-1-19-9-13-28-14-10-19)5-7-23(25)24-8-6-22(18-26(24)27)4-2-20-11-15-29-16-12-20/h1-18H/b3-1+,4-2+.
What are the key properties of 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one?
2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one has a molecular weight of 386.45 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one is sourced from PubChem (CID 15888532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).