2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene

C44H30 — CID 159959476

IUPAC2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccc(-c6ccccc6)cc45)cc3)c2)cc1
InChIInChI=1S/C44H30/c1-4-13-31(14-5-1)36-19-12-20-37(29-36)33-23-25-35(26-24-33)44-40-22-11-10-21-39(40)43(34-17-8-3-9-18-34)41-28-27-38(30-42(41)44)32-15-6-2-7-16-32/h1-30H
InChIKeyUQTFBPJEEUUFDD-UHFFFAOYSA-N
MW558.72 g/mol
LogP12.33
Rot. Bonds5

About 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene

2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene (PubChem CID 159959476) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
PubChem CID159959476
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccc(-c6ccccc6)cc45)cc3)c2)cc1
InChIInChI=1S/C44H30/c1-4-13-31(14-5-1)36-19-12-20-37(29-36)33-23-25-35(26-24-33)44-40-22-11-10-21-39(40)43(34-17-8-3-9-18-34)41-28-27-38(30-42(41)44)32-15-6-2-7-16-32/h1-30H
InChIKeyUQTFBPJEEUUFDD-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 512.33
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

9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443

Frequently Asked Questions

What is the IUPAC name of 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene?
The IUPAC name of 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene (CID 159959476) is 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene is c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccc(-c6ccccc6)cc45)cc3)c2)cc1.
What is the InChIKey of 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene?
The InChIKey is UQTFBPJEEUUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-4-13-31(14-5-1)36-19-12-20-37(29-36)33-23-25-35(26-24-33)44-40-22-11-10-21-39(40)43(34-17-8-3-9-18-34)41-28-27-38(30-42(41)44)32-15-6-2-7-16-32/h1-30H.
What are the key properties of 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene?
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene has a molecular weight of 558.72 g/mol, XLogP of 12.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 159959476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).