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

C46H28O — CID 58323672

IUPAC2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c(-c5ccc6oc7ccccc7c6c5)cccc34)ccc2c1
InChIInChI=1S/C46H28O/c1-3-12-31-26-34(22-20-29(31)10-1)44-38-15-5-6-16-39(38)45(35-23-21-30-11-2-4-13-32(30)27-35)46-36(17-9-18-40(44)46)33-24-25-43-41(28-33)37-14-7-8-19-42(37)47-43/h1-28H
InChIKeySXPFAIMZGLIPMX-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

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

2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran (PubChem CID 58323672) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran.

Molecular Properties

Compound Name2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
PubChem CID58323672
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c(-c5ccc6oc7ccccc7c6c5)cccc34)ccc2c1
InChIInChI=1S/C46H28O/c1-3-12-31-26-34(22-20-29(31)10-1)44-38-15-5-6-16-39(38)45(35-23-21-30-11-2-4-13-32(30)27-35)46-36(17-9-18-40(44)46)33-24-25-43-41(28-33)37-14-7-8-19-42(37)47-43/h1-28H
InChIKeySXPFAIMZGLIPMX-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-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
2-[2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536112
2-[10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)anthracen-1-yl]dibenzofuran;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-1,5-diphenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-1,5-diphenylanthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(4-naphthalen-1-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-1-phenyl-9-(3-phenylphenyl)anthracene
CID 162055995
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
CID 58194464
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779522
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 162491053
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-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 122427142

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran?
The IUPAC name of 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran (CID 58323672) is 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran.
What is the SMILES notation for 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran?
The canonical SMILES for 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c(-c5ccc6oc7ccccc7c6c5)cccc34)ccc2c1.
What is the InChIKey of 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran?
The InChIKey is SXPFAIMZGLIPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-3-12-31-26-34(22-20-29(31)10-1)44-38-15-5-6-16-39(38)45(35-23-21-30-11-2-4-13-32(30)27-35)46-36(17-9-18-40(44)46)33-24-25-43-41(28-33)37-14-7-8-19-42(37)47-43/h1-28H.
What are the key properties of 2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran?
2-(9,10-dinaphthalen-2-ylanthracen-1-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-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran is sourced from PubChem (CID 58323672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).