9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene

C70H46O2 — CID 155333539

IUPAC9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
SMILESc1ccc(-c2c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)c3cc3c(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cccc23)cc1
InChIInChI=1S/C70H46O2/c1-4-22-47(23-5-1)68-56-34-20-32-54(48-24-18-30-52(44-48)69(50-26-6-2-7-27-50)60-36-10-14-40-64(60)71-65-41-15-11-37-61(65)69)58(56)46-59-55(33-21-35-57(59)68)49-25-19-31-53(45-49)70(51-28-8-3-9-29-51)62-38-12-16-42-66(62)72-67-43-17-13-39-63(67)70/h1-46H
InChIKeyUMICVOIPBWRRCI-UHFFFAOYSA-N
MW919.14 g/mol
LogP17.97
Rot. Bonds7

About 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene

9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene (PubChem CID 155333539) has the molecular formula C70H46O2 and a molecular weight of 919.14 g/mol. Its IUPAC name is 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene.

Molecular Properties

Compound Name9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
PubChem CID155333539
Molecular FormulaC70H46O2
Molecular Weight919.14 g/mol
Exact Mass918.35
IUPAC Name9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
SMILESc1ccc(-c2c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)c3cc3c(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cccc23)cc1
InChIInChI=1S/C70H46O2/c1-4-22-47(23-5-1)68-56-34-20-32-54(48-24-18-30-52(44-48)69(50-26-6-2-7-27-50)60-36-10-14-40-64(60)71-65-41-15-11-37-61(65)69)58(56)46-59-55(33-21-35-57(59)68)49-25-19-31-53(45-49)70(51-28-8-3-9-29-51)62-38-12-16-42-66(62)72-67-43-17-13-39-63(67)70/h1-46H
InChIKeyUMICVOIPBWRRCI-UHFFFAOYSA-N
XLogP17.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
4-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(9,9-diphenylxanthen-4-yl)anthracen-1-yl]-9,9-diphenylxanthene
CID 155333842
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717
4-[8-(9,9-dimethylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-dimethylxanthene;4-[8-(9,9-diphenylxanthen-4-yl)-10-naphthalen-1-ylanthracen-1-yl]-9,9-diphenylxanthene;1-[8-(9,9-diphenylxanthen-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylxanthene
CID 158581005
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
CID 155333446
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
18-(10-phenylanthracen-9-yl)spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]
CID 118521003
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
16-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021978
7-(4,5-diphenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 146215858

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene?
The IUPAC name of 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene (CID 155333539) is 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene.
What is the SMILES notation for 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene?
The canonical SMILES for 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene is c1ccc(-c2c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)c3cc3c(-c4cccc(C5(c6ccccc6)c6ccccc6Oc6ccccc65)c4)cccc23)cc1.
What is the InChIKey of 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene?
The InChIKey is UMICVOIPBWRRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46O2/c1-4-22-47(23-5-1)68-56-34-20-32-54(48-24-18-30-52(44-48)69(50-26-6-2-7-27-50)60-36-10-14-40-64(60)71-65-41-15-11-37-61(65)69)58(56)46-59-55(33-21-35-57(59)68)49-25-19-31-53(45-49)70(51-28-8-3-9-29-51)62-38-12-16-42-66(62)72-67-43-17-13-39-63(67)70/h1-46H.
What are the key properties of 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene?
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene has a molecular weight of 919.14 g/mol, XLogP of 17.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene is sourced from PubChem (CID 155333539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).