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

C52H34 — CID 59793185

IUPAC9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1
InChIInChI=1S/C52H34/c1-3-15-35(16-4-1)37-27-29-38(30-28-37)41-20-9-12-24-45(41)51-46-25-13-14-26-47(46)52(50-33-39(31-32-48(50)51)36-17-5-2-6-18-36)49-34-40-19-7-8-21-42(40)43-22-10-11-23-44(43)49/h1-34H
InChIKeyYSIVEPVDPUXTQN-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

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

9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 59793185) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
PubChem CID59793185
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1
InChIInChI=1S/C52H34/c1-3-15-35(16-4-1)37-27-29-38(30-28-37)41-20-9-12-24-45(41)51-46-25-13-14-26-47(46)52(50-33-39(31-32-48(50)51)36-17-5-2-6-18-36)49-34-40-19-7-8-21-42(40)43-22-10-11-23-44(43)49/h1-34H
InChIKeyYSIVEPVDPUXTQN-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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322690

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene (CID 59793185) is 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene is c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1.
What is the InChIKey of 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene?
The InChIKey is YSIVEPVDPUXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-15-35(16-4-1)37-27-29-38(30-28-37)41-20-9-12-24-45(41)51-46-25-13-14-26-47(46)52(50-33-39(31-32-48(50)51)36-17-5-2-6-18-36)49-34-40-19-7-8-21-42(40)43-22-10-11-23-44(43)49/h1-34H.
What are the key properties of 9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene?
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]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-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 59793185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).