9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene

C50H36 — CID 123373226

IUPAC9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
SMILESCc1cccc2c(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)ccc(C)c12
InChIInChI=1S/C50H36/c1-33-13-12-22-41-47(31-23-34(2)48(33)41)50-44-20-10-8-18-42(44)49(43-19-9-11-21-45(43)50)46-32-30-38(39-16-6-7-17-40(39)46)29-26-35-24-27-37(28-25-35)36-14-4-3-5-15-36/h3-32H,1-2H3
InChIKeyIHLGLPZAQQUUHJ-UHFFFAOYSA-N
MW636.84 g/mol
LogP14.09
Rot. Bonds5

About 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene

9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene (PubChem CID 123373226) has the molecular formula C50H36 and a molecular weight of 636.84 g/mol. Its IUPAC name is 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
PubChem CID123373226
Molecular FormulaC50H36
Molecular Weight636.84 g/mol
Exact Mass636.28
IUPAC Name9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
SMILESCc1cccc2c(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)ccc(C)c12
InChIInChI=1S/C50H36/c1-33-13-12-22-41-47(31-23-34(2)48(33)41)50-44-20-10-8-18-42(44)49(43-19-9-11-21-45(43)50)46-32-30-38(39-16-6-7-17-40(39)46)29-26-35-24-27-37(28-25-35)36-14-4-3-5-15-36/h3-32H,1-2H3
InChIKeyIHLGLPZAQQUUHJ-UHFFFAOYSA-N
XLogP14.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 514.09
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-phenyl-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123602270
9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123215007
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
9-naphthalen-1-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123434532
9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123749528
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123832352
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethenyl]phenyl]-2,3-difluoro-4-phenylbenzene
CID 77470910
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine
CID 67099589
4-[10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracen-9-yl]-N,N-diphenylaniline
CID 118027309

Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The IUPAC name of 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene (CID 123373226) is 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The canonical SMILES for 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene is Cc1cccc2c(-c3c4ccccc4c(-c4ccc(C=Cc5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)ccc(C)c12.
What is the InChIKey of 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The InChIKey is IHLGLPZAQQUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36/c1-33-13-12-22-41-47(31-23-34(2)48(33)41)50-44-20-10-8-18-42(44)49(43-19-9-11-21-45(43)50)46-32-30-38(39-16-6-7-17-40(39)46)29-26-35-24-27-37(28-25-35)36-14-4-3-5-15-36/h3-32H,1-2H3.
What are the key properties of 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene has a molecular weight of 636.84 g/mol, XLogP of 14.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 123373226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).