1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline

C31H21N — CID 177496631

IUPAC1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline
SMILESC(=C/c1ccc2ccccc2c1-c1nccc2ccccc12)\c1ccc2ccccc2c1
InChIInChI=1S/C31H21N/c1-2-10-27-21-22(13-15-23(27)7-1)14-16-26-18-17-24-8-3-5-11-28(24)30(26)31-29-12-6-4-9-25(29)19-20-32-31/h1-21H/b16-14+
InChIKeyLJMOIGKAKDPZJA-JQIJEIRASA-N
MW407.52 g/mol
LogP8.38
Rot. Bonds3

About 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline

1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline (PubChem CID 177496631) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline.

Molecular Properties

Compound Name1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline
PubChem CID177496631
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC Name1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline
SMILESC(=C/c1ccc2ccccc2c1-c1nccc2ccccc12)\c1ccc2ccccc2c1
InChIInChI=1S/C31H21N/c1-2-10-27-21-22(13-15-23(27)7-1)14-16-26-18-17-24-8-3-5-11-28(24)30(26)31-29-12-6-4-9-25(29)19-20-32-31/h1-21H/b16-14+
InChIKeyLJMOIGKAKDPZJA-JQIJEIRASA-N
XLogP8.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631
9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
CID 59801167
8-[(E)-2-[6-[(E)-2-[6-[(E)-2-quinolin-8-ylethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 59801174
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
CID 54574596
2-(2-naphthalen-2-ylethenyl)benzonitrile
CID 54316772
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
tris[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]phosphane
CID 58942119
1-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122426440

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline?
The IUPAC name of 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline (CID 177496631) is 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline.
What is the SMILES notation for 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline?
The canonical SMILES for 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline is C(=C/c1ccc2ccccc2c1-c1nccc2ccccc12)\c1ccc2ccccc2c1.
What is the InChIKey of 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline?
The InChIKey is LJMOIGKAKDPZJA-JQIJEIRASA-N. The full InChI is InChI=1S/C31H21N/c1-2-10-27-21-22(13-15-23(27)7-1)14-16-26-18-17-24-8-3-5-11-28(24)30(26)31-29-12-6-4-9-25(29)19-20-32-31/h1-21H/b16-14+.
What are the key properties of 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline?
1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline has a molecular weight of 407.52 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-naphthalen-2-ylethenyl]naphthalen-1-yl]isoquinoline is sourced from PubChem (CID 177496631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).