3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran

C50H30O2 — CID 155334112

IUPAC3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5ccc6c(c5)oc5ccccc56)c4cc4c(-c5ccc6c(c5)oc5ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C50H30O2/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)50-42-16-8-14-36(34-24-26-40-38-12-4-6-18-46(38)51-48(40)28-34)44(42)30-45-37(15-9-17-43(45)50)35-25-27-41-39-13-5-7-19-47(39)52-49(41)29-35/h1-30H
InChIKeyNYQZMOUUOKANHF-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran

3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran (PubChem CID 155334112) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
PubChem CID155334112
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4cccc(-c5ccc6c(c5)oc5ccccc56)c4cc4c(-c5ccc6c(c5)oc5ccccc56)cccc34)cc2)cc1
InChIInChI=1S/C50H30O2/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)50-42-16-8-14-36(34-24-26-40-38-12-4-6-18-46(38)51-48(40)28-34)44(42)30-45-37(15-9-17-43(45)50)35-25-27-41-39-13-5-7-19-47(39)52-49(41)29-35/h1-30H
InChIKeyNYQZMOUUOKANHF-UHFFFAOYSA-N
XLogP14.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
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-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
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
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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 122415848
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran
CID 174177940
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741

Frequently Asked Questions

What is the IUPAC name of 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran (CID 155334112) is 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran is c1ccc(-c2ccc(-c3c4cccc(-c5ccc6c(c5)oc5ccccc56)c4cc4c(-c5ccc6c(c5)oc5ccccc56)cccc34)cc2)cc1.
What is the InChIKey of 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
The InChIKey is NYQZMOUUOKANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)50-42-16-8-14-36(34-24-26-40-38-12-4-6-18-46(38)51-48(40)28-34)44(42)30-45-37(15-9-17-43(45)50)35-25-27-41-39-13-5-7-19-47(39)52-49(41)29-35/h1-30H.
What are the key properties of 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran?
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran has a molecular weight of 662.79 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155334112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).