4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene

C55H49N5 — CID 144554025

IUPAC4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene
SMILESC/C=N/CC.C=C/C=C\C.C=CN=C.c1cc(-c2ccncc2)cc(-c2ccc3ccc4c(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C43H27N3.C5H8.C4H9N.C3H5N/c1-2-33(28-12-18-44-19-13-28)24-34(3-1)38-8-4-31-7-11-41-39(9-5-32-6-10-40(38)42(31)43(32)41)37-26-35(29-14-20-45-21-15-29)25-36(27-37)30-16-22-46-23-17-30;2*1-3-5-4-2;1-3-4-2/h1-27H;3-5H,1H2,2H3;3H,4H2,1-2H3;3H,1-2H2/b;5-4-;5-3+;
InChIKeyMPQPOIRJWMXEFQ-CMKLHTFLSA-N
MW780.03 g/mol
LogP14.78
Rot. Bonds8

About 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene

4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene (PubChem CID 144554025) has the molecular formula C55H49N5 and a molecular weight of 780.03 g/mol. Its IUPAC name is 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene
PubChem CID144554025
Molecular FormulaC55H49N5
Molecular Weight780.03 g/mol
Exact Mass779.40
IUPAC Name4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene
SMILESC/C=N/CC.C=C/C=C\C.C=CN=C.c1cc(-c2ccncc2)cc(-c2ccc3ccc4c(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)ccc5ccc2c3c54)c1
InChIInChI=1S/C43H27N3.C5H8.C4H9N.C3H5N/c1-2-33(28-12-18-44-19-13-28)24-34(3-1)38-8-4-31-7-11-41-39(9-5-32-6-10-40(38)42(31)43(32)41)37-26-35(29-14-20-45-21-15-29)25-36(27-37)30-16-22-46-23-17-30;2*1-3-5-4-2;1-3-4-2/h1-27H;3-5H,1H2,2H3;3H,4H2,1-2H3;3H,1-2H2/b;5-4-;5-3+;
InChIKeyMPQPOIRJWMXEFQ-CMKLHTFLSA-N
XLogP14.78
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanimine;N-ethenylmethanimine;(3Z)-penta-1,3-diene;pyridine;3-[3-pyridin-3-yl-5-[6-(3-pyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine
CID 144553809
N-[(1Z)-buta-1,3-dienyl]ethanimine;ethane;4-[6-(4-pyridin-4-ylphenyl)pyren-1-yl]pyridine
CID 144553842
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
1,6-bis(3,5-diphenylphenyl)pyrene
CID 59133444
2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146230593
1,6-bis(10-phenylanthracen-9-yl)pyrene;methane;(3Z)-penta-1,3-diene
CID 143092811
1-(3-pyren-2-ylphenyl)pyrene
CID 156656908
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
(3Z)-penta-1,3-diene;9-[3-(6-quinolin-3-ylpyren-1-yl)phenyl]carbazole
CID 143920745
1-[3-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(3-pyren-1-ylphenyl)pyrene
CID 158441814
(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 144553772
ethane;bis(prop-1-ene);6-[6-(3-quinolin-6-ylphenyl)pyren-1-yl]quinoline;3-[3-(6-quinolin-6-ylpyren-1-yl)phenyl]quinoline
CID 144604853

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene?
The IUPAC name of 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene (CID 144554025) is 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene.
What is the SMILES notation for 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene?
The canonical SMILES for 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene is C/C=N/CC.C=C/C=C\C.C=CN=C.c1cc(-c2ccncc2)cc(-c2ccc3ccc4c(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)ccc5ccc2c3c54)c1.
What is the InChIKey of 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene?
The InChIKey is MPQPOIRJWMXEFQ-CMKLHTFLSA-N. The full InChI is InChI=1S/C43H27N3.C5H8.C4H9N.C3H5N/c1-2-33(28-12-18-44-19-13-28)24-34(3-1)38-8-4-31-7-11-41-39(9-5-32-6-10-40(38)42(31)43(32)41)37-26-35(29-14-20-45-21-15-29)25-36(27-37)30-16-22-46-23-17-30;2*1-3-5-4-2;1-3-4-2/h1-27H;3-5H,1H2,2H3;3H,4H2,1-2H3;3H,1-2H2/b;5-4-;5-3+;.
What are the key properties of 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene?
4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene has a molecular weight of 780.03 g/mol, XLogP of 14.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(3,5-dipyridin-4-ylphenyl)pyren-1-yl]phenyl]pyridine;N-ethenylmethanimine;N-ethylethanimine;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144554025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).