2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene

C52H34 — CID 59002225

IUPAC2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5cc6ccccc6c6ccccc56)cc34)cc2)cc1
InChIInChI=1S/C52H34/c1-3-14-35(15-4-1)37-26-28-38(29-27-37)51-46-24-11-12-25-47(46)52(42-20-13-19-39(32-42)36-16-5-2-6-17-36)48-31-30-41(34-50(48)51)49-33-40-18-7-8-21-43(40)44-22-9-10-23-45(44)49/h1-34H
InChIKeyUBUAMFZJZBAGNK-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene

2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene (PubChem CID 59002225) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
PubChem CID59002225
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5cc6ccccc6c6ccccc56)cc34)cc2)cc1
InChIInChI=1S/C52H34/c1-3-14-35(15-4-1)37-26-28-38(29-27-37)51-46-24-11-12-25-47(46)52(42-20-13-19-39(32-42)36-16-5-2-6-17-36)48-31-30-41(34-50(48)51)49-33-40-18-7-8-21-43(40)44-22-9-10-23-45(44)49/h1-34H
InChIKeyUBUAMFZJZBAGNK-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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
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
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751
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
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;10-(3,5-diphenylphenyl)-2,9-dinaphthalen-1-ylanthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene
CID 167589302

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene?
The IUPAC name of 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene (CID 59002225) is 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene.
What is the SMILES notation for 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene?
The canonical SMILES for 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5cc6ccccc6c6ccccc56)cc34)cc2)cc1.
What is the InChIKey of 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene?
The InChIKey is UBUAMFZJZBAGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-14-35(15-4-1)37-26-28-38(29-27-37)51-46-24-11-12-25-47(46)52(42-20-13-19-39(32-42)36-16-5-2-6-17-36)48-31-30-41(34-50(48)51)49-33-40-18-7-8-21-43(40)44-22-9-10-23-45(44)49/h1-34H.
What are the key properties of 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene?
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene 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 2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene is sourced from PubChem (CID 59002225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).