9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene

C46H30 — CID 164706323

IUPAC9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4c5ccccc5cc5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C46H30/c1-2-15-31(16-3-1)32-19-14-20-35(29-32)44-38-23-8-10-25-40(38)46(41-26-11-9-24-39(41)44)43-28-13-12-27-42(43)45-36-21-6-4-17-33(36)30-34-18-5-7-22-37(34)45/h1-30H
InChIKeyIBUXPVWRKRSVQJ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene

9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene (PubChem CID 164706323) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
PubChem CID164706323
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4c5ccccc5cc5ccccc45)c4ccccc34)c2)cc1
InChIInChI=1S/C46H30/c1-2-15-31(16-3-1)32-19-14-20-35(29-32)44-38-23-8-10-25-40(38)46(41-26-11-9-24-39(41)44)43-28-13-12-27-42(43)45-36-21-6-4-17-33(36)30-34-18-5-7-22-37(34)45/h1-30H
InChIKeyIBUXPVWRKRSVQJ-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
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
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161288409
9-naphthalen-2-yl-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-naphthalen-2-yl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;9-phenyl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 159178358
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905

Frequently Asked Questions

What is the IUPAC name of 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene (CID 164706323) is 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4c5ccccc5cc5ccccc45)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene?
The InChIKey is IBUXPVWRKRSVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-15-31(16-3-1)32-19-14-20-35(29-32)44-38-23-8-10-25-40(38)46(41-26-11-9-24-39(41)44)43-28-13-12-27-42(43)45-36-21-6-4-17-33(36)30-34-18-5-7-22-37(34)45/h1-30H.
What are the key properties of 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene?
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 164706323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).