3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran

C63H38O2 — CID 155333707

IUPAC3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7c(c6)oc6ccccc67)c5cc5c(-c6ccc7c(c6)oc6ccccc67)cccc45)c32)cc1
InChIInChI=1S/C63H38O2/c1-3-16-41(17-4-1)63(42-18-5-2-6-19-42)56-29-10-7-20-45(56)52-27-15-28-53(62(52)63)61-50-25-13-23-43(39-32-34-48-46-21-8-11-30-57(46)64-59(48)36-39)54(50)38-55-44(24-14-26-51(55)61)40-33-35-49-47-22-9-12-31-58(47)65-60(49)37-40/h1-38H
InChIKeyNVKFEBQLFDYWNK-UHFFFAOYSA-N
MW827.00 g/mol
LogP17.16
Rot. Bonds5

About 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran

3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran (PubChem CID 155333707) has the molecular formula C63H38O2 and a molecular weight of 827.00 g/mol. Its IUPAC name is 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
PubChem CID155333707
Molecular FormulaC63H38O2
Molecular Weight827.00 g/mol
Exact Mass826.29
IUPAC Name3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7c(c6)oc6ccccc67)c5cc5c(-c6ccc7c(c6)oc6ccccc67)cccc45)c32)cc1
InChIInChI=1S/C63H38O2/c1-3-16-41(17-4-1)63(42-18-5-2-6-19-42)56-29-10-7-20-45(56)52-27-15-28-53(62(52)63)61-50-25-13-23-43(39-32-34-48-46-21-8-11-30-57(46)64-59(48)36-39)54(50)38-55-44(24-14-26-51(55)61)40-33-35-49-47-22-9-12-31-58(47)65-60(49)37-40/h1-38H
InChIKeyNVKFEBQLFDYWNK-UHFFFAOYSA-N
XLogP17.16
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.00
LogP ≤ 517.16
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

Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzo(b)naphtho(1,2-d)furan
CID 268932
2-Benzofuran-2-yl-phenanthrene-9,10-dione
CID 10805901
Pyreno(2,1-b)furan
CID 160333
Dinaphtho(1,2-b:1',2'-d)furan
CID 622697
(14S,17S,21S,22R)-11-(2-fluorophenyl)-17-methyl-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.017,21]tetracosa-1(13),2(10),3,5,7,11-hexaen-18-one
CID 134131514
Dinaphtho(2,1-b:1',2'-d)furan
CID 350145
Benzo(b)naphtho(2,1-d)furan
CID 67460
Pyreno(1,2-b)furan
CID 160331
2-Phenylnaphtho[1,2-b]furan
CID 12632994
1-(3,5-Dimethylphenyl)dibenzofuran
CID 137643472
Dinaphtho(2,1-b:2',3'-d)furan
CID 21087994

Frequently Asked Questions

What is the IUPAC name of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran (CID 155333707) is 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran is c1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7c(c6)oc6ccccc67)c5cc5c(-c6ccc7c(c6)oc6ccccc67)cccc45)c32)cc1.
What is the InChIKey of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?
The InChIKey is NVKFEBQLFDYWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38O2/c1-3-16-41(17-4-1)63(42-18-5-2-6-19-42)56-29-10-7-20-45(56)52-27-15-28-53(62(52)63)61-50-25-13-23-43(39-32-34-48-46-21-8-11-30-57(46)64-59(48)36-39)54(50)38-55-44(24-14-26-51(55)61)40-33-35-49-47-22-9-12-31-58(47)65-60(49)37-40/h1-38H.
What are the key properties of 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran?
3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 827.00 g/mol, XLogP of 17.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155333707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).