9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene

C48H32 — CID 123412667

IUPAC9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H32/c1-3-11-39-31-41(29-27-35(39)9-1)37-23-19-33(20-24-37)17-18-34-21-25-38(26-22-34)47-43-13-5-7-15-45(43)48(46-16-8-6-14-44(46)47)42-30-28-36-10-2-4-12-40(36)32-42/h1-32H
InChIKeyDSMSWOGXHPWKAX-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.47
Rot. Bonds5

About 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene

9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene (PubChem CID 123412667) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
PubChem CID123412667
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C48H32/c1-3-11-39-31-41(29-27-35(39)9-1)37-23-19-33(20-24-37)17-18-34-21-25-38(26-22-34)47-43-13-5-7-15-45(43)48(46-16-8-6-14-44(46)47)42-30-28-36-10-2-4-12-40(36)32-42/h1-32H
InChIKeyDSMSWOGXHPWKAX-UHFFFAOYSA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
CID 58963379
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
CID 59801167
9-[4-[10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]carbazole
CID 118027278
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204
9-(4-ethenylphenyl)-10-naphthalen-2-ylanthracene
CID 86076120

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene (CID 123412667) is 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene is C(=Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1)c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
The InChIKey is DSMSWOGXHPWKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-3-11-39-31-41(29-27-35(39)9-1)37-23-19-33(20-24-37)17-18-34-21-25-38(26-22-34)47-43-13-5-7-15-45(43)48(46-16-8-6-14-44(46)47)42-30-28-36-10-2-4-12-40(36)32-42/h1-32H.
What are the key properties of 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene?
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene has a molecular weight of 608.78 g/mol, XLogP of 13.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 123412667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).