8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline

C44H30N2 — CID 59801174

IUPAC8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1)\c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1
InChIInChI=1S/C44H30N2/c1-5-35-9-3-25-45-43(35)37(7-1)19-13-33-17-23-39-27-31(15-21-41(39)29-33)11-12-32-16-22-42-30-34(18-24-40(42)28-32)14-20-38-8-2-6-36-10-4-26-46-44(36)38/h1-30H/b12-11+,19-13+,20-14+
InChIKeyJPYDLIMFHUOFNF-KOJGVXFKSA-N
MW586.74 g/mol
LogP11.60
Rot. Bonds6

About 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline

8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline (PubChem CID 59801174) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline.

Molecular Properties

Compound Name8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
PubChem CID59801174
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1)\c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1
InChIInChI=1S/C44H30N2/c1-5-35-9-3-25-45-43(35)37(7-1)19-13-33-17-23-39-27-31(15-21-41(39)29-33)11-12-32-16-22-42-30-34(18-24-40(42)28-32)14-20-38-8-2-6-36-10-4-26-46-44(36)38/h1-30H/b12-11+,19-13+,20-14+
InChIKeyJPYDLIMFHUOFNF-KOJGVXFKSA-N
XLogP11.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
3-quinolin-8-ylprop-2-enal
CID 73158990
3-quinolin-8-ylprop-2-en-1-ol
CID 57237770
4-quinolin-8-ylbut-3-enal
CID 170482047
(E)-4-quinolin-8-ylbut-3-en-1-amine
CID 63968021
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
N-methyl-N-(quinolin-8-ylmethylideneamino)methanamine
CID 159110850
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
The IUPAC name of 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline (CID 59801174) is 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline.
What is the SMILES notation for 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
The canonical SMILES for 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline is C(=C/c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1)\c1ccc2cc(/C=C/c3cccc4cccnc34)ccc2c1.
What is the InChIKey of 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
The InChIKey is JPYDLIMFHUOFNF-KOJGVXFKSA-N. The full InChI is InChI=1S/C44H30N2/c1-5-35-9-3-25-45-43(35)37(7-1)19-13-33-17-23-39-27-31(15-21-41(39)29-33)11-12-32-16-22-42-30-34(18-24-40(42)28-32)14-20-38-8-2-6-36-10-4-26-46-44(36)38/h1-30H/b12-11+,19-13+,20-14+.
What are the key properties of 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline?
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline has a molecular weight of 586.74 g/mol, XLogP of 11.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline is sourced from PubChem (CID 59801174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).