2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene

C64H42 — CID 123147447

IUPAC2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc23)cc1
InChIInChI=1S/C64H42/c1-5-21-43(22-6-1)49-29-13-15-31-51(49)63-55-35-19-20-36-56(55)64(52-32-16-14-30-50(52)44-23-7-2-8-24-44)60-42-48(38-40-58(60)63)47-37-39-57-59(41-47)62(46-27-11-4-12-28-46)54-34-18-17-33-53(54)61(57)45-25-9-3-10-26-45/h1-42H
InChIKeyKTHYXVVPZCCEQM-UHFFFAOYSA-N
MW811.04 g/mol
LogP17.97
Rot. Bonds7

About 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene

2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene (PubChem CID 123147447) has the molecular formula C64H42 and a molecular weight of 811.04 g/mol. Its IUPAC name is 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene.

Molecular Properties

Compound Name2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
PubChem CID123147447
Molecular FormulaC64H42
Molecular Weight811.04 g/mol
Exact Mass810.33
IUPAC Name2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc23)cc1
InChIInChI=1S/C64H42/c1-5-21-43(22-6-1)49-29-13-15-31-51(49)63-55-35-19-20-36-56(55)64(52-32-16-14-30-50(52)44-23-7-2-8-24-44)60-42-48(38-40-58(60)63)47-37-39-57-59(41-47)62(46-27-11-4-12-28-46)54-34-18-17-33-53(54)61(57)45-25-9-3-10-26-45/h1-42H
InChIKeyKTHYXVVPZCCEQM-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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Related Compounds

2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
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-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene?
The IUPAC name of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene (CID 123147447) is 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene.
What is the SMILES notation for 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene?
The canonical SMILES for 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc23)cc1.
What is the InChIKey of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene?
The InChIKey is KTHYXVVPZCCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42/c1-5-21-43(22-6-1)49-29-13-15-31-51(49)63-55-35-19-20-36-56(55)64(52-32-16-14-30-50(52)44-23-7-2-8-24-44)60-42-48(38-40-58(60)63)47-37-39-57-59(41-47)62(46-27-11-4-12-28-46)54-34-18-17-33-53(54)61(57)45-25-9-3-10-26-45/h1-42H.
What are the key properties of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene?
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene 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 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene is sourced from PubChem (CID 123147447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).