2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene

C53H36 — CID 58894893

IUPAC2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
SMILESCc1cccc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)c1
InChIInChI=1S/C53H36/c1-35-9-8-14-42(31-35)47-29-30-50-51(34-47)53(41-25-19-39(20-26-41)46-28-22-37-11-3-5-13-44(37)33-46)49-16-7-6-15-48(49)52(50)40-23-17-38(18-24-40)45-27-21-36-10-2-4-12-43(36)32-45/h2-34H,1H3
InChIKeyAOUVOIJPTVWGEF-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.94
Rot. Bonds5

About 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene

2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 58894893) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
PubChem CID58894893
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
SMILESCc1cccc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)c1
InChIInChI=1S/C53H36/c1-35-9-8-14-42(31-35)47-29-30-50-51(34-47)53(41-25-19-39(20-26-41)46-28-22-37-11-3-5-13-44(37)33-46)49-16-7-6-15-48(49)52(50)40-23-17-38(18-24-40)45-27-21-36-10-2-4-12-43(36)32-45/h2-34H,1H3
InChIKeyAOUVOIJPTVWGEF-UHFFFAOYSA-N
XLogP14.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-methyl-2-naphthalen-2-yl-9-phenylanthracene
CID 144687142
3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642404
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene (CID 58894893) is 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene is Cc1cccc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is AOUVOIJPTVWGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-35-9-8-14-42(31-35)47-29-30-50-51(34-47)53(41-25-19-39(20-26-41)46-28-22-37-11-3-5-13-44(37)33-46)49-16-7-6-15-48(49)52(50)40-23-17-38(18-24-40)45-27-21-36-10-2-4-12-43(36)32-45/h2-34H,1H3.
What are the key properties of 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene?
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 672.87 g/mol, XLogP of 14.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58894893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).