1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline

C38H25N3 — CID 155601731

About 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline

1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline (PubChem CID 155601731) has the molecular formula C38H25N3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline.

Molecular Properties

• Compound Name: 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline
• PubChem CID: 155601731
• Molecular Formula: C38H25N3
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.20
• IUPAC Name: 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline
• SMILES: C(\c1cc(-c2cc3ccccc3cn2)cc2ccccc12)=c1\[nH]/c(=C\c2nccc3ccccc23)c2ccccc12
• InChI: InChI=1S/C38H25N3/c1-2-12-28-24-40-35(21-26(28)10-1)30-19-27-11-4-5-13-31(27)29(20-30)22-37-33-15-7-8-16-34(33)38(41-37)23-36-32-14-6-3-9-25(32)17-18-39-36/h1-24,41H/b37-22-,38-23-
• InChIKey: ZBVNATMEVUGQGW-XKCWUVCSSA-N
• XLogP: 7.74
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline?

The IUPAC name of 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline (CID 155601731) is 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline.

What is the SMILES notation for 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline?

The canonical SMILES for 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline is C(\c1cc(-c2cc3ccccc3cn2)cc2ccccc12)=c1\[nH]/c(=C\c2nccc3ccccc23)c2ccccc12.

What is the InChIKey of 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline?

The InChIKey is ZBVNATMEVUGQGW-XKCWUVCSSA-N. The full InChI is InChI=1S/C38H25N3/c1-2-12-28-24-40-35(21-26(28)10-1)30-19-27-11-4-5-13-31(27)29(20-30)22-37-33-15-7-8-16-34(33)38(41-37)23-36-32-14-6-3-9-25(32)17-18-39-36/h1-24,41H/b37-22-,38-23-.

What are the key properties of 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline?

1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline has a molecular weight of 523.64 g/mol, XLogP of 7.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(Z)-[(3Z)-3-[(3-isoquinolin-3-ylnaphthalen-1-yl)methylidene]isoindol-1-ylidene]methyl]isoquinoline is sourced from PubChem (CID 155601731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).