1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran

C46H28O — CID 146651916

IUPAC1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cccc7oc8ccccc8c67)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C46H28O/c1-2-11-30-27-34(24-20-29(30)10-1)44-37-12-3-5-14-39(37)45(40-15-6-4-13-38(40)44)35-25-22-31-26-33(23-21-32(31)28-35)36-17-9-19-43-46(36)41-16-7-8-18-42(41)47-43/h1-28H
InChIKeyDTZNCXMYBCHODX-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran

1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran (PubChem CID 146651916) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran.

Molecular Properties

Compound Name1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
PubChem CID146651916
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cccc7oc8ccccc8c67)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C46H28O/c1-2-11-30-27-34(24-20-29(30)10-1)44-37-12-3-5-14-39(37)45(40-15-6-4-13-38(40)44)35-25-22-31-26-33(23-21-32(31)28-35)36-17-9-19-43-46(36)41-16-7-8-18-42(41)47-43/h1-28H
InChIKeyDTZNCXMYBCHODX-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

1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
1-[3-(10-naphtho[2,3-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779522
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-[4-[3-[10-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylanthracen-2-yl]-10-naphthalen-2-ylanthracen-9-yl]phenyl]dibenzofuran
CID 166671529
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512
7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377

Frequently Asked Questions

What is the IUPAC name of 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
The IUPAC name of 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran (CID 146651916) is 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran.
What is the SMILES notation for 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
The canonical SMILES for 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cccc7oc8ccccc8c67)ccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
The InChIKey is DTZNCXMYBCHODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-11-30-27-34(24-20-29(30)10-1)44-37-12-3-5-14-39(37)45(40-15-6-4-13-38(40)44)35-25-22-31-26-33(23-21-32(31)28-35)36-17-9-19-43-46(36)41-16-7-8-18-42(41)47-43/h1-28H.
What are the key properties of 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran?
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-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 1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran is sourced from PubChem (CID 146651916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).