9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene

C52H34 — CID 58160982

IUPAC9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc3c(-c4ccccc4)cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc23)cc1
InChIInChI=1S/C52H34/c1-3-15-36(16-4-1)48-31-43(39-21-13-22-41(29-39)50-30-42-20-9-10-23-45(42)46-24-11-12-25-47(46)50)33-51-49(37-17-5-2-6-18-37)32-44(34-52(48)51)40-27-26-35-14-7-8-19-38(35)28-40/h1-34H
InChIKeyNLDQZVAKMLIJPR-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene

9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene (PubChem CID 58160982) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
PubChem CID58160982
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc3c(-c4ccccc4)cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc23)cc1
InChIInChI=1S/C52H34/c1-3-15-36(16-4-1)48-31-43(39-21-13-22-41(29-39)50-30-42-20-9-10-23-45(42)46-24-11-12-25-47(46)50)33-51-49(37-17-5-2-6-18-37)32-44(34-52(48)51)40-27-26-35-14-7-8-19-38(35)28-40/h1-34H
InChIKeyNLDQZVAKMLIJPR-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470
7-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638660
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
2-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)-9-phenylphenanthrene
CID 59638827
9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
CID 158279425
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene?
The IUPAC name of 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene (CID 58160982) is 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene.
What is the SMILES notation for 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene?
The canonical SMILES for 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene is c1ccc(-c2cc(-c3ccc4ccccc4c3)cc3c(-c4ccccc4)cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc23)cc1.
What is the InChIKey of 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene?
The InChIKey is NLDQZVAKMLIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-15-36(16-4-1)48-31-43(39-21-13-22-41(29-39)50-30-42-20-9-10-23-45(42)46-24-11-12-25-47(46)50)33-51-49(37-17-5-2-6-18-37)32-44(34-52(48)51)40-27-26-35-14-7-8-19-38(35)28-40/h1-34H.
What are the key properties of 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene?
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene is sourced from PubChem (CID 58160982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).