2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

C43H28O — CID 167060905

IUPAC2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESCc1ccc2c(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C43H28O/c1-27-20-22-37-39(24-27)43(34-18-9-11-28-10-2-3-14-32(28)34)36-17-5-4-16-35(36)42(37)31-13-8-12-29(25-31)30-21-23-41-38(26-30)33-15-6-7-19-40(33)44-41/h2-26H,1H3
InChIKeyKOQWBWYPBJFDQU-UHFFFAOYSA-N
MW560.70 g/mol
LogP12.36
Rot. Bonds3

About 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 167060905) has the molecular formula C43H28O and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID167060905
Molecular FormulaC43H28O
Molecular Weight560.70 g/mol
Exact Mass560.21
IUPAC Name2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESCc1ccc2c(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C43H28O/c1-27-20-22-37-39(24-27)43(34-18-9-11-28-10-2-3-14-32(28)34)36-17-5-4-16-35(36)42(37)31-13-8-12-29(25-31)30-21-23-41-38(26-30)33-15-6-7-19-40(33)44-41/h2-26H,1H3
InChIKeyKOQWBWYPBJFDQU-UHFFFAOYSA-N
XLogP12.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 512.36
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-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
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-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
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
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696
7-[3-(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 122415788
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-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (CID 167060905) is 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is Cc1ccc2c(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3c(-c3cccc4ccccc34)c2c1.
What is the InChIKey of 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is KOQWBWYPBJFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28O/c1-27-20-22-37-39(24-27)43(34-18-9-11-28-10-2-3-14-32(28)34)36-17-5-4-16-35(36)42(37)31-13-8-12-29(25-31)30-21-23-41-38(26-30)33-15-6-7-19-40(33)44-41/h2-26H,1H3.
What are the key properties of 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 560.70 g/mol, XLogP of 12.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 167060905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).