2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

C36H22O — CID 58151301

IUPAC2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C36H22O/c1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h1-22H
InChIKeyCRZYXFMREXNDDR-UHFFFAOYSA-N
MW470.57 g/mol
LogP10.38
Rot. Bonds2

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

2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 58151301) has the molecular formula C36H22O and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
PubChem CID58151301
Molecular FormulaC36H22O
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C36H22O/c1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h1-22H
InChIKeyCRZYXFMREXNDDR-UHFFFAOYSA-N
XLogP10.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 510.38
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-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
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
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426272
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426263
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
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568839

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (CID 58151301) is 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1.
What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is CRZYXFMREXNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O/c1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h1-22H.
What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 470.57 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 58151301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).