9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene

C62H40 — CID 58963379

IUPAC9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
SMILESC(=C/c1c2ccccc2c(-c2ccccc2)c2ccccc12)\c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C62H40/c1-2-16-45(17-3-1)60-54-22-10-8-20-51(54)53(52-21-9-11-23-55(52)60)36-28-41-26-29-44(30-27-41)48-35-37-58-59(40-48)62(50-34-32-43-15-5-7-19-47(43)39-50)57-25-13-12-24-56(57)61(58)49-33-31-42-14-4-6-18-46(42)38-49/h1-40H/b36-28+
InChIKeyGXFHCKZUFSYPIG-FDEZRRJOSA-N
MW785.00 g/mol
LogP17.44
Rot. Bonds6

About 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene

9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene (PubChem CID 58963379) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
PubChem CID58963379
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
SMILESC(=C/c1c2ccccc2c(-c2ccccc2)c2ccccc12)\c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C62H40/c1-2-16-45(17-3-1)60-54-22-10-8-20-51(54)53(52-21-9-11-23-55(52)60)36-28-41-26-29-44(30-27-41)48-35-37-58-59(40-48)62(50-34-32-43-15-5-7-19-47(43)39-50)57-25-13-12-24-56(57)61(58)49-33-31-42-14-4-6-18-46(42)38-49/h1-40H/b36-28+
InChIKeyGXFHCKZUFSYPIG-FDEZRRJOSA-N
XLogP17.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene?
The IUPAC name of 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene (CID 58963379) is 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene is C(=C/c1c2ccccc2c(-c2ccccc2)c2ccccc12)\c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene?
The InChIKey is GXFHCKZUFSYPIG-FDEZRRJOSA-N. The full InChI is InChI=1S/C62H40/c1-2-16-45(17-3-1)60-54-22-10-8-20-51(54)53(52-21-9-11-23-55(52)60)36-28-41-26-29-44(30-27-41)48-35-37-58-59(40-48)62(50-34-32-43-15-5-7-19-47(43)39-50)57-25-13-12-24-56(57)61(58)49-33-31-42-14-4-6-18-46(42)38-49/h1-40H/b36-28+.
What are the key properties of 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene?
9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene has a molecular weight of 785.00 g/mol, XLogP of 17.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 58963379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).