methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene

C53H38 — CID 143224896

IUPACmethane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
SMILESC.c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H34.CH4/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)52-47-25-13-9-21-43(47)50(44-22-10-14-26-48(44)52)40-33-29-38(30-34-40)36-17-5-2-6-18-36;/h1-34H;1H4
InChIKeyZYCZZTXQXJJELQ-UHFFFAOYSA-N
MW674.89 g/mol
LogP15.27
Rot. Bonds5

About methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene

methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 143224896) has the molecular formula C53H38 and a molecular weight of 674.89 g/mol. Its IUPAC name is methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Namemethane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
PubChem CID143224896
Molecular FormulaC53H38
Molecular Weight674.89 g/mol
Exact Mass674.30
IUPAC Namemethane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
SMILESC.c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H34.CH4/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)52-47-25-13-9-21-43(47)50(44-22-10-14-26-48(44)52)40-33-29-38(30-34-40)36-17-5-2-6-18-36;/h1-34H;1H4
InChIKeyZYCZZTXQXJJELQ-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]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

9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
CID 143321579
CID 143321579
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797

Frequently Asked Questions

What is the IUPAC name of methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene?
The IUPAC name of methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene (CID 143224896) is methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene?
The canonical SMILES for methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene is C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene?
The InChIKey is ZYCZZTXQXJJELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34.CH4/c1-3-15-35(16-4-1)37-27-31-39(32-28-37)49-41-19-7-11-23-45(41)51(46-24-12-8-20-42(46)49)52-47-25-13-9-21-43(47)50(44-22-10-14-26-48(44)52)40-33-29-38(30-34-40)36-17-5-2-6-18-36;/h1-34H;1H4.
What are the key properties of methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene?
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene has a molecular weight of 674.89 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 143224896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).