2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane

C29H31N — CID 142906728

IUPAC2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane
SMILESC/C=C\C=C1\CCc2ccccc2/C(=C/c2ccccc2-c2ccccn2)C1.CC
InChIInChI=1S/C27H25N.C2H6/c1-2-3-10-21-16-17-22-11-4-6-13-25(22)24(19-21)20-23-12-5-7-14-26(23)27-15-8-9-18-28-27;1-2/h2-15,18,20H,16-17,19H2,1H3;1-2H3/b3-2-,21-10-,24-20+;
InChIKeyZCXAZAFZNGTYLQ-IELIWVTRSA-N
MW393.57 g/mol
LogP8.15
Rot. Bonds3

About 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane

2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane (PubChem CID 142906728) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane.

Molecular Properties

Compound Name2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane
PubChem CID142906728
Molecular FormulaC29H31N
Molecular Weight393.57 g/mol
Exact Mass393.25
IUPAC Name2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane
SMILESC/C=C\C=C1\CCc2ccccc2/C(=C/c2ccccc2-c2ccccn2)C1.CC
InChIInChI=1S/C27H25N.C2H6/c1-2-3-10-21-16-17-22-11-4-6-13-25(22)24(19-21)20-23-12-5-7-14-26(23)27-15-8-9-18-28-27;1-2/h2-15,18,20H,16-17,19H2,1H3;1-2H3/b3-2-,21-10-,24-20+;
InChIKeyZCXAZAFZNGTYLQ-IELIWVTRSA-N
XLogP8.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane?
The IUPAC name of 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane (CID 142906728) is 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane.
What is the SMILES notation for 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane?
The canonical SMILES for 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane is C/C=C\C=C1\CCc2ccccc2/C(=C/c2ccccc2-c2ccccn2)C1.CC.
What is the InChIKey of 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane?
The InChIKey is ZCXAZAFZNGTYLQ-IELIWVTRSA-N. The full InChI is InChI=1S/C27H25N.C2H6/c1-2-3-10-21-16-17-22-11-4-6-13-25(22)24(19-21)20-23-12-5-7-14-26(23)27-15-8-9-18-28-27;1-2/h2-15,18,20H,16-17,19H2,1H3;1-2H3/b3-2-,21-10-,24-20+;.
What are the key properties of 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane?
2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane has a molecular weight of 393.57 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[(7Z)-7-[(Z)-but-2-enylidene]-8,9-dihydrobenzo[7]annulen-5-ylidene]methyl]phenyl]pyridine;ethane is sourced from PubChem (CID 142906728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).