1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene

C54H38 — CID 139835020

IUPAC1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
SMILESC(=Cc1cccc2ccccc12)c1cc(C=Cc2cccc3ccccc23)c(C=Cc2cccc3ccccc23)cc1C=Cc1cccc2ccccc12
InChIInChI=1S/C54H38/c1-5-25-51-39(13-1)17-9-21-43(51)29-33-47-37-49(35-31-45-23-11-19-41-15-3-7-27-53(41)45)50(36-32-46-24-12-20-42-16-4-8-28-54(42)46)38-48(47)34-30-44-22-10-18-40-14-2-6-26-52(40)44/h1-38H
InChIKeyMWZDDMQLHWAHFU-UHFFFAOYSA-N
MW686.90 g/mol
LogP14.98
Rot. Bonds8

About 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene

1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene (PubChem CID 139835020) has the molecular formula C54H38 and a molecular weight of 686.90 g/mol. Its IUPAC name is 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
PubChem CID139835020
Molecular FormulaC54H38
Molecular Weight686.90 g/mol
Exact Mass686.30
IUPAC Name1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
SMILESC(=Cc1cccc2ccccc12)c1cc(C=Cc2cccc3ccccc23)c(C=Cc2cccc3ccccc23)cc1C=Cc1cccc2ccccc12
InChIInChI=1S/C54H38/c1-5-25-51-39(13-1)17-9-21-43(51)29-33-47-37-49(35-31-45-23-11-19-41-15-3-7-27-53(41)45)50(36-32-46-24-12-20-42-16-4-8-28-54(42)46)38-48(47)34-30-44-22-10-18-40-14-2-6-26-52(40)44/h1-38H
InChIKeyMWZDDMQLHWAHFU-UHFFFAOYSA-N
XLogP14.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
4-[(E)-2-naphthalen-1-ylethenyl]naphthalen-1-ol
CID 139980470
1,2-dimethyl-4-[(E)-2-naphthalen-1-ylethenyl]naphthalene
CID 6253992
4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
CID 67805142
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
CID 54574596
1-[2-[2-methyl-4-(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 71388289
4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
The IUPAC name of 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene (CID 139835020) is 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene.
What is the SMILES notation for 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
The canonical SMILES for 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene is C(=Cc1cccc2ccccc12)c1cc(C=Cc2cccc3ccccc23)c(C=Cc2cccc3ccccc23)cc1C=Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
The InChIKey is MWZDDMQLHWAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38/c1-5-25-51-39(13-1)17-9-21-43(51)29-33-47-37-49(35-31-45-23-11-19-41-15-3-7-27-53(41)45)50(36-32-46-24-12-20-42-16-4-8-28-54(42)46)38-48(47)34-30-44-22-10-18-40-14-2-6-26-52(40)44/h1-38H.
What are the key properties of 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene?
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene has a molecular weight of 686.90 g/mol, XLogP of 14.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene is sourced from PubChem (CID 139835020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).