3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene

C56H36 — CID 58194539

IUPAC3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
SMILESc1ccc(-c2cc3ccccc3c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc(-c7ccc8ccccc8c7)c6)c6ccccc56)cc4)ccc23)cc1
InChIInChI=1S/C56H36/c1-2-14-39(15-3-1)53-36-45-17-6-7-20-47(45)54-35-44(31-32-48(53)54)38-25-28-40(29-26-38)55-49-21-8-10-23-51(49)56(52-24-11-9-22-50(52)55)46-19-12-18-42(34-46)43-30-27-37-13-4-5-16-41(37)33-43/h1-36H
InChIKeyREUUAXFNSGOBAZ-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene

3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene (PubChem CID 58194539) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene.

Molecular Properties

Compound Name3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
PubChem CID58194539
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
SMILESc1ccc(-c2cc3ccccc3c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc(-c7ccc8ccccc8c7)c6)c6ccccc56)cc4)ccc23)cc1
InChIInChI=1S/C56H36/c1-2-14-39(15-3-1)53-36-45-17-6-7-20-47(45)54-35-44(31-32-48(53)54)38-25-28-40(29-26-38)55-49-21-8-10-23-51(49)56(52-24-11-9-22-50(52)55)46-19-12-18-42(34-46)43-30-27-37-13-4-5-16-41(37)33-43/h1-36H
InChIKeyREUUAXFNSGOBAZ-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 515.79
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

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
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
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-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
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
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417

Frequently Asked Questions

What is the IUPAC name of 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene?
The IUPAC name of 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene (CID 58194539) is 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene.
What is the SMILES notation for 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene?
The canonical SMILES for 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene is c1ccc(-c2cc3ccccc3c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc(-c7ccc8ccccc8c7)c6)c6ccccc56)cc4)ccc23)cc1.
What is the InChIKey of 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene?
The InChIKey is REUUAXFNSGOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-14-39(15-3-1)53-36-45-17-6-7-20-47(45)54-35-44(31-32-48(53)54)38-25-28-40(29-26-38)55-49-21-8-10-23-51(49)56(52-24-11-9-22-50(52)55)46-19-12-18-42(34-46)43-30-27-37-13-4-5-16-41(37)33-43/h1-36H.
What are the key properties of 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene?
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene is sourced from PubChem (CID 58194539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).