9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene

C64H42 — CID 140754619

IUPAC9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3c4ccccc4c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C64H42/c1-5-23-43(24-6-1)47-39-21-40-48(44-25-7-2-8-26-44)59(47)61-51-31-13-17-35-55(51)63(56-36-18-14-32-52(56)61)64-57-37-19-15-33-53(57)62(54-34-16-20-38-58(54)64)60-49(45-27-9-3-10-28-45)41-22-42-50(60)46-29-11-4-12-30-46/h1-42H
InChIKeyBAFAFLNHBXDEJL-UHFFFAOYSA-N
MW811.04 g/mol
LogP17.97
Rot. Bonds7

About 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene

9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene (PubChem CID 140754619) has the molecular formula C64H42 and a molecular weight of 811.04 g/mol. Its IUPAC name is 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene.

Molecular Properties

Compound Name9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
PubChem CID140754619
Molecular FormulaC64H42
Molecular Weight811.04 g/mol
Exact Mass810.33
IUPAC Name9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3c4ccccc4c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C64H42/c1-5-23-43(24-6-1)47-39-21-40-48(44-25-7-2-8-26-44)59(47)61-51-31-13-17-35-55(51)63(56-36-18-14-32-52(56)61)64-57-37-19-15-33-53(57)62(54-34-16-20-38-58(54)64)60-49(45-27-9-3-10-28-45)41-22-42-50(60)46-29-11-4-12-30-46/h1-42H
InChIKeyBAFAFLNHBXDEJL-UHFFFAOYSA-N
XLogP17.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.04
LogP ≤ 517.97
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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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene?
The IUPAC name of 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene (CID 140754619) is 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene.
What is the SMILES notation for 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene?
The canonical SMILES for 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3c4ccccc4c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene?
The InChIKey is BAFAFLNHBXDEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42/c1-5-23-43(24-6-1)47-39-21-40-48(44-25-7-2-8-26-44)59(47)61-51-31-13-17-35-55(51)63(56-36-18-14-32-52(56)61)64-57-37-19-15-33-53(57)62(54-34-16-20-38-58(54)64)60-49(45-27-9-3-10-28-45)41-22-42-50(60)46-29-11-4-12-30-46/h1-42H.
What are the key properties of 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene?
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene has a molecular weight of 811.04 g/mol, XLogP of 17.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene is sourced from PubChem (CID 140754619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).