9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene

C66H44 — CID 58402256

IUPAC9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
SMILESC(=Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C66H44/c1-3-17-50(18-4-1)63-55-22-7-11-26-59(55)65(60-27-12-8-23-56(60)63)52-40-36-48(37-41-52)47-34-32-45(33-35-47)30-31-46-16-15-21-54(44-46)49-38-42-53(43-39-49)66-61-28-13-9-24-57(61)64(51-19-5-2-6-20-51)58-25-10-14-29-62(58)66/h1-44H
InChIKeyXZNUYVKKYWZDHG-UHFFFAOYSA-N
MW837.08 g/mol
LogP18.47
Rot. Bonds8

About 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene

9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene (PubChem CID 58402256) has the molecular formula C66H44 and a molecular weight of 837.08 g/mol. Its IUPAC name is 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
PubChem CID58402256
Molecular FormulaC66H44
Molecular Weight837.08 g/mol
Exact Mass836.34
IUPAC Name9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
SMILESC(=Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C66H44/c1-3-17-50(18-4-1)63-55-22-7-11-26-59(55)65(60-27-12-8-23-56(60)63)52-40-36-48(37-41-52)47-34-32-45(33-35-47)30-31-46-16-15-21-54(44-46)49-38-42-53(43-39-49)66-61-28-13-9-24-57(61)64(51-19-5-2-6-20-51)58-25-10-14-29-62(58)66/h1-44H
InChIKeyXZNUYVKKYWZDHG-UHFFFAOYSA-N
XLogP18.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.08
LogP ≤ 518.47
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

9,10-diphenyl-1-[2-[2-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene
CID 58402271
1-naphthalen-2-yl-9,10-bis[4-[3-(2-phenylethenyl)phenyl]phenyl]anthracene
CID 123710605
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
2-[4-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]ethenyl]phenyl]-9,10-diphenylanthracene;9,10-diphenyl-1-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene;9,10-diphenyl-2-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene;9-phenyl-10-[4-[2-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene
CID 160735002
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-naphthalen-2-yl-10-[3-[(E)-2-naphthalen-2-ylethenyl]phenyl]anthracene
CID 58954157
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracene
CID 140834646
9-methyl-10-[6-[10-[3-[(E)-2-phenylethenyl]phenyl]anthracen-9-yl]naphthalen-2-yl]anthracene
CID 58876001
2-phenyl-5-[3-[2-[3-(2-phenylethenyl)phenyl]-10-[3-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]thiophene
CID 76562635
9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123412667
9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
CID 23574112

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene?
The IUPAC name of 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene (CID 58402256) is 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene.
What is the SMILES notation for 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene?
The canonical SMILES for 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene is C(=Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene?
The InChIKey is XZNUYVKKYWZDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44/c1-3-17-50(18-4-1)63-55-22-7-11-26-59(55)65(60-27-12-8-23-56(60)63)52-40-36-48(37-41-52)47-34-32-45(33-35-47)30-31-46-16-15-21-54(44-46)49-38-42-53(43-39-49)66-61-28-13-9-24-57(61)64(51-19-5-2-6-20-51)58-25-10-14-29-62(58)66/h1-44H.
What are the key properties of 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene?
9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene has a molecular weight of 837.08 g/mol, XLogP of 18.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[4-[3-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]phenyl]anthracene is sourced from PubChem (CID 58402256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).