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

C76H50 — CID 18740150

IUPAC2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(-c6ccccc6-c6ccccc6)c6ccccc6c(-c6ccccc6-c6ccccc6)c5c4)ccc23)cc1
InChIInChI=1S/C76H50/c1-5-25-51(26-6-1)57-33-13-17-37-61(57)73-65-41-21-23-43-67(65)75(63-39-19-15-35-59(63)53-29-9-3-10-30-53)71-49-55(45-47-69(71)73)56-46-48-70-72(50-56)76(64-40-20-16-36-60(64)54-31-11-4-12-32-54)68-44-24-22-42-66(68)74(70)62-38-18-14-34-58(62)52-27-7-2-8-28-52/h1-50H
InChIKeyJWVIUQBFDYHPAC-UHFFFAOYSA-N
MW963.24 g/mol
LogP21.30
Rot. Bonds9

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

2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene (PubChem CID 18740150) has the molecular formula C76H50 and a molecular weight of 963.24 g/mol. Its IUPAC name is 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
PubChem CID18740150
Molecular FormulaC76H50
Molecular Weight963.24 g/mol
Exact Mass962.39
IUPAC Name2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(-c6ccccc6-c6ccccc6)c6ccccc6c(-c6ccccc6-c6ccccc6)c5c4)ccc23)cc1
InChIInChI=1S/C76H50/c1-5-25-51(26-6-1)57-33-13-17-37-61(57)73-65-41-21-23-43-67(65)75(63-39-19-15-35-59(63)53-29-9-3-10-30-53)71-49-55(45-47-69(71)73)56-46-48-70-72(50-56)76(64-40-20-16-36-60(64)54-31-11-4-12-32-54)68-44-24-22-42-66(68)74(70)62-38-18-14-34-58(62)52-27-7-2-8-28-52/h1-50H
InChIKeyJWVIUQBFDYHPAC-UHFFFAOYSA-N
XLogP21.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.24
LogP ≤ 521.30
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-diphenylanthracene
CID 123147447
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene?
The IUPAC name of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene (CID 18740150) is 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene.
What is the SMILES notation for 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene?
The canonical SMILES for 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4ccc5c(-c6ccccc6-c6ccccc6)c6ccccc6c(-c6ccccc6-c6ccccc6)c5c4)ccc23)cc1.
What is the InChIKey of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene?
The InChIKey is JWVIUQBFDYHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50/c1-5-25-51(26-6-1)57-33-13-17-37-61(57)73-65-41-21-23-43-67(65)75(63-39-19-15-35-59(63)53-29-9-3-10-30-53)71-49-55(45-47-69(71)73)56-46-48-70-72(50-56)76(64-40-20-16-36-60(64)54-31-11-4-12-32-54)68-44-24-22-42-66(68)74(70)62-38-18-14-34-58(62)52-27-7-2-8-28-52/h1-50H.
What are the key properties of 2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene?
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene has a molecular weight of 963.24 g/mol, XLogP of 21.30, 9 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-bis(2-phenylphenyl)anthracene is sourced from PubChem (CID 18740150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).