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

C50H34 — CID 123215007

IUPAC9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C50H34/c1-3-13-36(14-4-1)38-26-23-35(24-27-38)25-28-40-33-34-48(43-18-8-7-17-42(40)43)50-46-21-11-9-19-44(46)49(45-20-10-12-22-47(45)50)41-31-29-39(30-32-41)37-15-5-2-6-16-37/h1-34H
InChIKeyRVFBSFUFRXUIJI-UHFFFAOYSA-N
MW634.82 g/mol
LogP13.98
Rot. Bonds6

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

9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene (PubChem CID 123215007) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
PubChem CID123215007
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
SMILESC(=Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C50H34/c1-3-13-36(14-4-1)38-26-23-35(24-27-38)25-28-40-33-34-48(43-18-8-7-17-42(40)43)50-46-21-11-9-19-44(46)49(45-20-10-12-22-47(45)50)41-31-29-39(30-32-41)37-15-5-2-6-16-37/h1-34H
InChIKeyRVFBSFUFRXUIJI-UHFFFAOYSA-N
XLogP13.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.98
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-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123832352
9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123749528
9-(4,5-dimethylnaphthalen-1-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123373226
9-naphthalen-1-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123434532
9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123929110
9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 140834619
9,10-diphenyl-2-[2-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene
CID 58402318
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene;9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene;9-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenylanthracene;9-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene;9-naphthalen-2-yl-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 159660154

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The IUPAC name of 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene (CID 123215007) is 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The canonical SMILES for 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene is C(=Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
The InChIKey is RVFBSFUFRXUIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-3-13-36(14-4-1)38-26-23-35(24-27-38)25-28-40-33-34-48(43-18-8-7-17-42(40)43)50-46-21-11-9-19-44(46)49(45-20-10-12-22-47(45)50)41-31-29-39(30-32-41)37-15-5-2-6-16-37/h1-34H.
What are the key properties of 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene?
9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene has a molecular weight of 634.82 g/mol, XLogP of 13.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylphenyl)-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 123215007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).