3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

C42H26O — CID 118671052

IUPAC3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-12-27(13-3-1)41-34-17-6-8-19-36(34)42(37-20-9-7-18-35(37)41)38-25-24-29(30-14-4-5-15-31(30)38)28-22-23-33-32-16-10-11-21-39(32)43-40(33)26-28/h1-26H
InChIKeyAQRQRRDIBRWFOC-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

About 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (PubChem CID 118671052) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
PubChem CID118671052
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-12-27(13-3-1)41-34-17-6-8-19-36(34)42(37-20-9-7-18-35(37)41)38-25-24-29(30-14-4-5-15-31(30)38)28-22-23-33-32-16-10-11-21-39(32)43-40(33)26-28/h1-26H
InChIKeyAQRQRRDIBRWFOC-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

6-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 122415794
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122415742
3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 155454054
7-(10-phenylanthracen-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 122425853
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
7-[10-(2-phenylphenyl)anthracen-9-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 170654309
2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran;2-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-7-phenyldibenzofuran
CID 159660097
7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 122415800

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (CID 118671052) is 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The InChIKey is AQRQRRDIBRWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-12-27(13-3-1)41-34-17-6-8-19-36(34)42(37-20-9-7-18-35(37)41)38-25-24-29(30-14-4-5-15-31(30)38)28-22-23-33-32-16-10-11-21-39(32)43-40(33)26-28/h1-26H.
What are the key properties of 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]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 3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 118671052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).