9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene

C104H68 — CID 159958636

IUPAC9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/2C52H34/c1-3-17-35(18-4-1)37-21-15-23-39(33-37)49-41-25-7-11-29-45(41)51(46-30-12-8-26-42(46)49)52-47-31-13-9-27-43(47)50(44-28-10-14-32-48(44)52)40-24-16-22-38(34-40)36-19-5-2-6-20-36;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h2*1-34H
InChIKeyODAPGUVFYFEUHL-UHFFFAOYSA-N
MW1317.69 g/mol
LogP29.27
Rot. Bonds10

About 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene

9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene (PubChem CID 159958636) has the molecular formula C104H68 and a molecular weight of 1317.69 g/mol. Its IUPAC name is 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
PubChem CID159958636
Molecular FormulaC104H68
Molecular Weight1317.69 g/mol
Exact Mass1316.53
IUPAC Name9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/2C52H34/c1-3-17-35(18-4-1)37-21-15-23-39(33-37)49-41-25-7-11-29-45(41)51(46-30-12-8-26-42(46)49)52-47-31-13-9-27-43(47)50(44-28-10-14-32-48(44)52)40-24-16-22-38(34-40)36-19-5-2-6-20-36;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h2*1-34H
InChIKeyODAPGUVFYFEUHL-UHFFFAOYSA-N
XLogP29.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.69
LogP ≤ 529.27
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-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
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
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-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-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706319
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 147995292
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene?
The IUPAC name of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene (CID 159958636) is 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene?
The canonical SMILES for 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene is c1ccc(-c2cccc(-c3c4ccccc4c(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene?
The InChIKey is ODAPGUVFYFEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34/c1-3-17-35(18-4-1)37-21-15-23-39(33-37)49-41-25-7-11-29-45(41)51(46-30-12-8-26-42(46)49)52-47-31-13-9-27-43(47)50(44-28-10-14-32-48(44)52)40-24-16-22-38(34-40)36-19-5-2-6-20-36;1-3-19-35(20-4-1)37-23-7-9-25-39(37)49-41-27-11-15-31-45(41)51(46-32-16-12-28-42(46)49)52-47-33-17-13-29-43(47)50(44-30-14-18-34-48(44)52)40-26-10-8-24-38(40)36-21-5-2-6-22-36/h2*1-34H.
What are the key properties of 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene?
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene has a molecular weight of 1317.69 g/mol, XLogP of 29.27, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 159958636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).