4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene

C62H42O2 — CID 171724084

IUPAC4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene
SMILESc1ccc(-c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C62H42O2/c1-6-22-43(23-7-1)44-40-45(51-32-20-36-55-59(51)63-57-38-18-16-34-53(57)61(55,47-24-8-2-9-25-47)48-26-10-3-11-27-48)42-46(41-44)52-33-21-37-56-60(52)64-58-39-19-17-35-54(58)62(56,49-28-12-4-13-29-49)50-30-14-5-15-31-50/h1-42H
InChIKeyILQJZAOULWWXAD-UHFFFAOYSA-N
MW819.02 g/mol
LogP15.66
Rot. Bonds7

About 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene

4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene (PubChem CID 171724084) has the molecular formula C62H42O2 and a molecular weight of 819.02 g/mol. Its IUPAC name is 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene.

Molecular Properties

Compound Name4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene
PubChem CID171724084
Molecular FormulaC62H42O2
Molecular Weight819.02 g/mol
Exact Mass818.32
IUPAC Name4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene
SMILESc1ccc(-c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C62H42O2/c1-6-22-43(23-7-1)44-40-45(51-32-20-36-55-59(51)63-57-38-18-16-34-53(57)61(55,47-24-8-2-9-25-47)48-26-10-3-11-27-48)42-46(41-44)52-33-21-37-56-60(52)64-58-39-19-17-35-54(58)62(56,49-28-12-4-13-29-49)50-30-14-5-15-31-50/h1-42H
InChIKeyILQJZAOULWWXAD-UHFFFAOYSA-N
XLogP15.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146388535
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
4-[4-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163736945
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline
CID 166914687
2-[3-(9,9-diphenylxanthen-4-yl)phenyl]-1,10-phenanthroline
CID 166914697
4-[4-(9,9-diphenylxanthen-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 163506983
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886307
2-[4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031227
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene?
The IUPAC name of 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene (CID 171724084) is 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene.
What is the SMILES notation for 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene?
The canonical SMILES for 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene is c1ccc(-c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene?
The InChIKey is ILQJZAOULWWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42O2/c1-6-22-43(23-7-1)44-40-45(51-32-20-36-55-59(51)63-57-38-18-16-34-53(57)61(55,47-24-8-2-9-25-47)48-26-10-3-11-27-48)42-46(41-44)52-33-21-37-56-60(52)64-58-39-19-17-35-54(58)62(56,49-28-12-4-13-29-49)50-30-14-5-15-31-50/h1-42H.
What are the key properties of 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene?
4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene has a molecular weight of 819.02 g/mol, XLogP of 15.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-diphenylxanthen-4-yl)-5-phenylphenyl]-9,9-diphenylxanthene is sourced from PubChem (CID 171724084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).