2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran

C46H28O — CID 58322991

IUPAC2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c4c3)cccc2c1
InChIInChI=1S/C46H28O/c1-3-15-33-29(11-1)13-9-20-35(33)31-23-25-40-42(27-31)45(32-24-26-44-41(28-32)36-17-7-8-22-43(36)47-44)38-18-5-6-19-39(38)46(40)37-21-10-14-30-12-2-4-16-34(30)37/h1-28H
InChIKeyIEONNWGGKVZZLT-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran

2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 58322991) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
PubChem CID58322991
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c4c3)cccc2c1
InChIInChI=1S/C46H28O/c1-3-15-33-29(11-1)13-9-20-35(33)31-23-25-40-42(27-31)45(32-24-26-44-41(28-32)36-17-7-8-22-43(36)47-44)38-18-5-6-19-39(38)46(40)37-21-10-14-30-12-2-4-16-34(30)37/h1-28H
InChIKeyIEONNWGGKVZZLT-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860

Frequently Asked Questions

What is the IUPAC name of 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran (CID 58322991) is 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran is c1ccc2c(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c4c3)cccc2c1.
What is the InChIKey of 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is IEONNWGGKVZZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-3-15-33-29(11-1)13-9-20-35(33)31-23-25-40-42(27-31)45(32-24-26-44-41(28-32)36-17-7-8-22-43(36)47-44)38-18-5-6-19-39(38)46(40)37-21-10-14-30-12-2-4-16-34(30)37/h1-28H.
What are the key properties of 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran?
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 58322991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).