2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran

C68H40O2 — CID 174315687

IUPAC2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7c8ccccc8c(-c8ccc9c(c8)oc8ccccc89)c8ccccc78)cc6)cc45)c4ccccc34)ccc2c1
InChIInChI=1S/C68H40O2/c1-2-14-44-37-46(30-27-41(44)13-1)66-56-20-7-9-22-58(56)68(59-23-10-8-21-57(59)66)48-32-35-51-60-38-45(33-36-62(60)70-64(51)40-48)42-25-28-43(29-26-42)65-52-16-3-5-18-54(52)67(55-19-6-4-17-53(55)65)47-31-34-50-49-15-11-12-24-61(49)69-63(50)39-47/h1-40H
InChIKeyQMFSWVUCVBZMNY-UHFFFAOYSA-N
MW889.07 g/mol
LogP19.59
Rot. Bonds5

About 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran

2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran (PubChem CID 174315687) has the molecular formula C68H40O2 and a molecular weight of 889.07 g/mol. Its IUPAC name is 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
PubChem CID174315687
Molecular FormulaC68H40O2
Molecular Weight889.07 g/mol
Exact Mass888.30
IUPAC Name2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7c8ccccc8c(-c8ccc9c(c8)oc8ccccc89)c8ccccc78)cc6)cc45)c4ccccc34)ccc2c1
InChIInChI=1S/C68H40O2/c1-2-14-44-37-46(30-27-41(44)13-1)66-56-20-7-9-22-58(56)68(59-23-10-8-21-57(59)66)48-32-35-51-60-38-45(33-36-62(60)70-64(51)40-48)42-25-28-43(29-26-42)65-52-16-3-5-18-54(52)67(55-19-6-4-17-53(55)65)47-31-34-50-49-15-11-12-24-61(49)69-63(50)39-47/h1-40H
InChIKeyQMFSWVUCVBZMNY-UHFFFAOYSA-N
XLogP19.59
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.07
LogP ≤ 519.59
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

7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
CID 88569060
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
19-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190197
3-naphthalen-2-yldibenzofuran
CID 68932481
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran (CID 174315687) is 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7c8ccccc8c(-c8ccc9c(c8)oc8ccccc89)c8ccccc78)cc6)cc45)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
The InChIKey is QMFSWVUCVBZMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40O2/c1-2-14-44-37-46(30-27-41(44)13-1)66-56-20-7-9-22-58(56)68(59-23-10-8-21-57(59)66)48-32-35-51-60-38-45(33-36-62(60)70-64(51)40-48)42-25-28-43(29-26-42)65-52-16-3-5-18-54(52)67(55-19-6-4-17-53(55)65)47-31-34-50-49-15-11-12-24-61(49)69-63(50)39-47/h1-40H.
What are the key properties of 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran?
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran has a molecular weight of 889.07 g/mol, XLogP of 19.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 174315687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).