4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran

C64H38O2 — CID 155334912

IUPAC4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc3c(-c4c5cccc(-c6cccc7c6oc6ccccc67)c5cc5c(-c6cccc7c6oc6ccccc67)cccc45)c4cccc(-c5ccccc5)c4cc23)cc1
InChIInChI=1S/C64H38O2/c1-3-17-39(18-4-1)41-23-11-27-47-55(41)37-56-42(40-19-5-2-6-20-40)24-12-28-48(56)61(47)62-49-29-13-25-43(51-31-15-33-53-45-21-7-9-35-59(45)65-63(51)53)57(49)38-58-44(26-14-30-50(58)62)52-32-16-34-54-46-22-8-10-36-60(46)66-64(52)54/h1-38H
InChIKeyNNMZEPJTZATINP-UHFFFAOYSA-N
MW839.01 g/mol
LogP18.43
Rot. Bonds5

About 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran

4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran (PubChem CID 155334912) has the molecular formula C64H38O2 and a molecular weight of 839.01 g/mol. Its IUPAC name is 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
PubChem CID155334912
Molecular FormulaC64H38O2
Molecular Weight839.01 g/mol
Exact Mass838.29
IUPAC Name4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc3c(-c4c5cccc(-c6cccc7c6oc6ccccc67)c5cc5c(-c6cccc7c6oc6ccccc67)cccc45)c4cccc(-c5ccccc5)c4cc23)cc1
InChIInChI=1S/C64H38O2/c1-3-17-39(18-4-1)41-23-11-27-47-55(41)37-56-42(40-19-5-2-6-20-40)24-12-28-48(56)61(47)62-49-29-13-25-43(51-31-15-33-53-45-21-7-9-35-59(45)65-63(51)53)57(49)38-58-44(26-14-30-50(58)62)52-32-16-34-54-46-22-8-10-36-60(46)66-64(52)54/h1-38H
InChIKeyNNMZEPJTZATINP-UHFFFAOYSA-N
XLogP18.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 518.43
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

4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
8-[10-(2,6-diphenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 171447445
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
3-[8-dibenzofuran-3-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(3-phenylnaphthalen-1-yl)anthracen-1-yl]dibenzofuran
CID 161354716
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
6-[6-(4,5-diphenylanthracen-9-yl)dibenzofuran-2-yl]benzene-1,2,3,4,5-pentol
CID 163477678

Frequently Asked Questions

What is the IUPAC name of 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran (CID 155334912) is 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran is c1ccc(-c2cccc3c(-c4c5cccc(-c6cccc7c6oc6ccccc67)c5cc5c(-c6cccc7c6oc6ccccc67)cccc45)c4cccc(-c5ccccc5)c4cc23)cc1.
What is the InChIKey of 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran?
The InChIKey is NNMZEPJTZATINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38O2/c1-3-17-39(18-4-1)41-23-11-27-47-55(41)37-56-42(40-19-5-2-6-20-40)24-12-28-48(56)61(47)62-49-29-13-25-43(51-31-15-33-53-45-21-7-9-35-59(45)65-63(51)53)57(49)38-58-44(26-14-30-50(58)62)52-32-16-34-54-46-22-8-10-36-60(46)66-64(52)54/h1-38H.
What are the key properties of 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran?
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 839.01 g/mol, XLogP of 18.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155334912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).