9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene

C68H44 — CID 59024571

IUPAC9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6cc(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)ccc6c5)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C68H44/c1-3-15-49(16-4-1)65-57-19-7-11-23-61(57)67(62-24-12-8-20-58(62)65)51-35-31-46(32-36-51)45-27-29-47(30-28-45)53-39-41-56-44-54(40-42-55(56)43-53)48-33-37-52(38-34-48)68-63-25-13-9-21-59(63)66(50-17-5-2-6-18-50)60-22-10-14-26-64(60)68/h1-44H
InChIKeyZESSYENRBVMWQJ-UHFFFAOYSA-N
MW861.10 g/mol
LogP19.12
Rot. Bonds7

About 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene

9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene (PubChem CID 59024571) has the molecular formula C68H44 and a molecular weight of 861.10 g/mol. Its IUPAC name is 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
PubChem CID59024571
Molecular FormulaC68H44
Molecular Weight861.10 g/mol
Exact Mass860.34
IUPAC Name9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6cc(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)ccc6c5)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C68H44/c1-3-15-49(16-4-1)65-57-19-7-11-23-61(57)67(62-24-12-8-20-58(62)65)51-35-31-46(32-36-51)45-27-29-47(30-28-45)53-39-41-56-44-54(40-42-55(56)43-53)48-33-37-52(38-34-48)68-63-25-13-9-21-59(63)66(50-17-5-2-6-18-50)60-22-10-14-26-64(60)68/h1-44H
InChIKeyZESSYENRBVMWQJ-UHFFFAOYSA-N
XLogP19.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.10
LogP ≤ 519.12
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-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene (CID 59024571) is 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6cc(-c7ccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)cc7)ccc6c5)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene?
The InChIKey is ZESSYENRBVMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44/c1-3-15-49(16-4-1)65-57-19-7-11-23-61(57)67(62-24-12-8-20-58(62)65)51-35-31-46(32-36-51)45-27-29-47(30-28-45)53-39-41-56-44-54(40-42-55(56)43-53)48-33-37-52(38-34-48)68-63-25-13-9-21-59(63)66(50-17-5-2-6-18-50)60-22-10-14-26-64(60)68/h1-44H.
What are the key properties of 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene?
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene has a molecular weight of 861.10 g/mol, XLogP of 19.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene is sourced from PubChem (CID 59024571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).