2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol

C25H17NOS — CID 136732457

IUPAC2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol
SMILESOc1ccccc1-c1cc(/C=C/c2cccs2)c2c(ccc3ccccc32)n1
InChIInChI=1S/C25H17NOS/c27-24-10-4-3-9-21(24)23-16-18(11-13-19-7-5-15-28-19)25-20-8-2-1-6-17(20)12-14-22(25)26-23/h1-16,27H/b13-11+
InChIKeyLCZNIUPZKJJQTC-ACCUITESSA-N
MW379.48 g/mol
LogP6.99
Rot. Bonds3

About 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol

2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol (PubChem CID 136732457) has the molecular formula C25H17NOS and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol.

Molecular Properties

Compound Name2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol
PubChem CID136732457
Molecular FormulaC25H17NOS
Molecular Weight379.48 g/mol
Exact Mass379.10
IUPAC Name2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol
SMILESOc1ccccc1-c1cc(/C=C/c2cccs2)c2c(ccc3ccccc32)n1
InChIInChI=1S/C25H17NOS/c27-24-10-4-3-9-21(24)23-16-18(11-13-19-7-5-15-28-19)25-20-8-2-1-6-17(20)12-14-22(25)26-23/h1-16,27H/b13-11+
InChIKeyLCZNIUPZKJJQTC-ACCUITESSA-N
XLogP6.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
2-[(E)-2-thiophen-2-ylethenyl]benzo[e][1]benzothiole
CID 102445389
3-(4-bromophenyl)-1-[2-(4-bromophenyl)ethenyl]benzo[f]quinoline
CID 3980990
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;4-[2-[2-[4-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-2-yl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;ethane;4-(2-thiophen-2-ylethenyl)-2-[4-(2-thiophen-2-ylethenyl)-2-pyridinyl]pyridine
CID 161419881
N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
CID 5169785
3-(4-chlorophenyl)-1-(4-phenylbuta-1,3-dienyl)benzo[f]quinoline
CID 4066078
[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone
CID 162395795
3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
CID 4184777
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol?
The IUPAC name of 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol (CID 136732457) is 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol.
What is the SMILES notation for 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol?
The canonical SMILES for 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol is Oc1ccccc1-c1cc(/C=C/c2cccs2)c2c(ccc3ccccc32)n1.
What is the InChIKey of 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol?
The InChIKey is LCZNIUPZKJJQTC-ACCUITESSA-N. The full InChI is InChI=1S/C25H17NOS/c27-24-10-4-3-9-21(24)23-16-18(11-13-19-7-5-15-28-19)25-20-8-2-1-6-17(20)12-14-22(25)26-23/h1-16,27H/b13-11+.
What are the key properties of 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol?
2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol has a molecular weight of 379.48 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-thiophen-2-ylethenyl]benzo[f]quinolin-3-yl]phenol is sourced from PubChem (CID 136732457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).