9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol

C74H52O2 — CID 139997699

IUPAC9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol
SMILESOC1(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C74H52O2/c75-73(59-43-38-51(39-44-59)48-65(53-22-6-1-7-23-53)54-24-8-2-9-25-54)67-36-20-21-37-68(67)74(76,60-45-40-52(41-46-60)49-66(55-26-10-3-11-27-55)56-28-12-4-13-29-56)70-50-58(42-47-69(70)73)72-63-34-18-16-32-61(63)71(57-30-14-5-15-31-57)62-33-17-19-35-64(62)72/h1-50,75-76H
InChIKeyOPKKGAUNJVQAQM-UHFFFAOYSA-N
MW973.23 g/mol
LogP17.39
Rot. Bonds10

About 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol

9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol (PubChem CID 139997699) has the molecular formula C74H52O2 and a molecular weight of 973.23 g/mol. Its IUPAC name is 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol.

Molecular Properties

Compound Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol
PubChem CID139997699
Molecular FormulaC74H52O2
Molecular Weight973.23 g/mol
Exact Mass972.40
IUPAC Name9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol
SMILESOC1(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C74H52O2/c75-73(59-43-38-51(39-44-59)48-65(53-22-6-1-7-23-53)54-24-8-2-9-25-54)67-36-20-21-37-68(67)74(76,60-45-40-52(41-46-60)49-66(55-26-10-3-11-27-55)56-28-12-4-13-29-56)70-50-58(42-47-69(70)73)72-63-34-18-16-32-61(63)71(57-30-14-5-15-31-57)62-33-17-19-35-64(62)72/h1-50,75-76H
InChIKeyOPKKGAUNJVQAQM-UHFFFAOYSA-N
XLogP17.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.23
LogP ≤ 517.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
9-[3,5-bis(4-phenylphenyl)phenyl]-10-[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 58814327
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-[4-(2,2-diphenylethenyl)phenyl]-10-(2,4-diphenylphenyl)anthracene
CID 59459841
9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene-9,10-diol
CID 159047940
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
6,11-diphenyl-5,12-bis(4-phenylphenyl)tetracene-5,12-diol
CID 70872098
CID 158869194
CID 158869194
9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
CID 18335711
2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 158291973
9-[4-[2-(4-methoxyphenyl)-2-naphthalen-2-ylethenyl]phenyl]-10-phenylanthracene
CID 72576126

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol?
The IUPAC name of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol (CID 139997699) is 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol.
What is the SMILES notation for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol?
The canonical SMILES for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol is OC1(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccccc2C(O)(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol?
The InChIKey is OPKKGAUNJVQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52O2/c75-73(59-43-38-51(39-44-59)48-65(53-22-6-1-7-23-53)54-24-8-2-9-25-54)67-36-20-21-37-68(67)74(76,60-45-40-52(41-46-60)49-66(55-26-10-3-11-27-55)56-28-12-4-13-29-56)70-50-58(42-47-69(70)73)72-63-34-18-16-32-61(63)71(57-30-14-5-15-31-57)62-33-17-19-35-64(62)72/h1-50,75-76H.
What are the key properties of 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol?
9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol has a molecular weight of 973.23 g/mol, XLogP of 17.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-(10-phenylanthracen-9-yl)anthracene-9,10-diol is sourced from PubChem (CID 139997699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).