9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene

C52H36 — CID 123956480

IUPAC9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
SMILESCc1ccc(C)c(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C52H36/c1-33-23-24-34(2)48(29-33)51-44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)50-32-39(30-37-13-3-6-16-41(37)50)35-25-27-36(28-26-35)49-31-38-14-4-5-15-40(38)42-17-7-8-18-43(42)49/h3-32H,1-2H3
InChIKeyAYOCEVBSXONWCE-UHFFFAOYSA-N
MW660.86 g/mol
LogP14.74
Rot. Bonds4

About 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene

9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene (PubChem CID 123956480) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
PubChem CID123956480
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
SMILESCc1ccc(C)c(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C52H36/c1-33-23-24-34(2)48(29-33)51-44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)50-32-39(30-37-13-3-6-16-41(37)50)35-25-27-36(28-26-35)49-31-38-14-4-5-15-40(38)42-17-7-8-18-43(42)49/h3-32H,1-2H3
InChIKeyAYOCEVBSXONWCE-UHFFFAOYSA-N
XLogP14.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 514.74
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

9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene
CID 171046034
9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 157105875
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
CID 140603460
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 167623602

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
The IUPAC name of 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene (CID 123956480) is 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene is Cc1ccc(C)c(-c2c3ccccc3c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
The InChIKey is AYOCEVBSXONWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-33-23-24-34(2)48(29-33)51-44-19-9-11-21-46(44)52(47-22-12-10-20-45(47)51)50-32-39(30-37-13-3-6-16-41(37)50)35-25-27-36(28-26-35)49-31-38-14-4-5-15-40(38)42-17-7-8-18-43(42)49/h3-32H,1-2H3.
What are the key properties of 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene?
9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene has a molecular weight of 660.86 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 123956480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).