9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene

C52H34 — CID 140825339

IUPAC9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H34/c1-3-17-35(18-4-1)39-21-7-8-22-40(39)36-31-33-38(34-32-36)50-43-25-11-15-29-47(43)52(48-30-16-12-26-44(48)50)51-45-27-13-9-23-41(45)49(37-19-5-2-6-20-37)42-24-10-14-28-46(42)51/h1-34H
InChIKeyMQPZVDFMEUPZSQ-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene

9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene (PubChem CID 140825339) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
PubChem CID140825339
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
SMILESc1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C52H34/c1-3-17-35(18-4-1)39-21-7-8-22-40(39)36-31-33-38(34-32-36)50-43-25-11-15-29-47(43)52(48-30-16-12-26-44(48)50)51-45-27-13-9-23-41(45)49(37-19-5-2-6-20-37)42-24-10-14-28-46(42)51/h1-34H
InChIKeyMQPZVDFMEUPZSQ-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'}

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Related Compounds

9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
9-[5,8-bis(2-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837329
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene?
The IUPAC name of 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene (CID 140825339) is 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene.
What is the SMILES notation for 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene?
The canonical SMILES for 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene is c1ccc(-c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene?
The InChIKey is MQPZVDFMEUPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-17-35(18-4-1)39-21-7-8-22-40(39)36-31-33-38(34-32-36)50-43-25-11-15-29-47(43)52(48-30-16-12-26-44(48)50)51-45-27-13-9-23-41(45)49(37-19-5-2-6-20-37)42-24-10-14-28-46(42)51/h1-34H.
What are the key properties of 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene?
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]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 9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene is sourced from PubChem (CID 140825339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).