1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran

C42H26O — CID 118563907

IUPAC1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C42H26O/c1-2-11-30-26-31(25-20-27(30)10-1)41-35-14-5-3-12-33(35)40(34-13-4-6-15-36(34)41)29-23-21-28(22-24-29)32-17-9-19-39-42(32)37-16-7-8-18-38(37)43-39/h1-26H
InChIKeyKFWYOKJSAAMTNR-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran

1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 118563907) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID118563907
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C42H26O/c1-2-11-30-26-31(25-20-27(30)10-1)41-35-14-5-3-12-33(35)40(34-13-4-6-15-36(34)41)29-23-21-28(22-24-29)32-17-9-19-39-42(32)37-16-7-8-18-38(37)43-39/h1-26H
InChIKeyKFWYOKJSAAMTNR-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
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-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
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-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
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
2-(9,10-dinaphthalen-2-ylanthracen-1-yl)dibenzofuran
CID 58323672
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 167615058
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran (CID 118563907) is 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is KFWYOKJSAAMTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-11-30-26-31(25-20-27(30)10-1)41-35-14-5-3-12-33(35)40(34-13-4-6-15-36(34)41)29-23-21-28(22-24-29)32-17-9-19-39-42(32)37-16-7-8-18-38(37)43-39/h1-26H.
What are the key properties of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran?
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 118563907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).