9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene

C62H42 — CID 18335711

IUPAC9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(-c2ccc(-c3c4ccccc4c(C=C(c4ccccc4)c4ccccc4)c4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C62H42/c1-5-21-43(22-6-1)57(44-23-7-2-8-24-44)41-59-49-29-13-17-33-53(49)61(54-34-18-14-30-50(54)59)47-37-39-48(40-38-47)62-55-35-19-15-31-51(55)60(52-32-16-20-36-56(52)62)42-58(45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-42H
InChIKeyFQKJYORLLDHTOJ-UHFFFAOYSA-N
MW787.02 g/mol
LogP16.81
Rot. Bonds8

About 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene

9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene (PubChem CID 18335711) has the molecular formula C62H42 and a molecular weight of 787.02 g/mol. Its IUPAC name is 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
PubChem CID18335711
Molecular FormulaC62H42
Molecular Weight787.02 g/mol
Exact Mass786.33
IUPAC Name9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
SMILESC(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(-c2ccc(-c3c4ccccc4c(C=C(c4ccccc4)c4ccccc4)c4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C62H42/c1-5-21-43(22-6-1)57(44-23-7-2-8-24-44)41-59-49-29-13-17-33-53(49)61(54-34-18-14-30-50(54)59)47-37-39-48(40-38-47)62-55-35-19-15-31-51(55)60(52-32-16-20-36-56(52)62)42-58(45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-42H
InChIKeyFQKJYORLLDHTOJ-UHFFFAOYSA-N
XLogP16.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 516.81
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

4-N,4-N-bis[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 22253825
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;9-[4-(2,2-diphenylethenyl)phenyl]-10-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]anthracene
CID 158494908
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]-N,N-diphenylaniline
CID 23067335
triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane
CID 20724631
9-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
[4-[(Z)-1-[4-[10-[4-[(Z)-1,2-bis(4-trimethylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]-2-(4-trimethylsilylphenyl)ethenyl]phenyl]-trimethylsilane
CID 20724585
9,10-bis[3-(2,2-diphenylethenyl)naphthalen-1-yl]anthracene
CID 59858851
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene
CID 161350530

Frequently Asked Questions

What is the IUPAC name of 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene?
The IUPAC name of 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene (CID 18335711) is 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene.
What is the SMILES notation for 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene?
The canonical SMILES for 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene is C(=C(c1ccccc1)c1ccccc1)c1c2ccccc2c(-c2ccc(-c3c4ccccc4c(C=C(c4ccccc4)c4ccccc4)c4ccccc34)cc2)c2ccccc12.
What is the InChIKey of 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene?
The InChIKey is FQKJYORLLDHTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42/c1-5-21-43(22-6-1)57(44-23-7-2-8-24-44)41-59-49-29-13-17-33-53(49)61(54-34-18-14-30-50(54)59)47-37-39-48(40-38-47)62-55-35-19-15-31-51(55)60(52-32-16-20-36-56(52)62)42-58(45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-42H.
What are the key properties of 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene?
9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene has a molecular weight of 787.02 g/mol, XLogP of 16.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene is sourced from PubChem (CID 18335711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).