1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran

C50H30O2 — CID 174297149

IUPAC1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)cc2)c1
InChIInChI=1S/C50H30O2/c1-2-14-34(40-21-11-22-41-35-15-7-9-24-44(35)52-50(40)41)33(13-1)31-27-29-32(30-28-31)47-36-16-3-5-18-38(36)48(39-19-6-4-17-37(39)47)43-23-12-26-46-49(43)42-20-8-10-25-45(42)51-46/h1-30H
InChIKeyVJCIIUYJVZVZQE-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran

1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 174297149) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID174297149
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)cc2)c1
InChIInChI=1S/C50H30O2/c1-2-14-34(40-21-11-22-41-35-15-7-9-24-44(35)52-50(40)41)33(13-1)31-27-29-32(30-28-31)47-36-16-3-5-18-38(36)48(39-19-6-4-17-37(39)47)43-23-12-26-46-49(43)42-20-8-10-25-45(42)51-46/h1-30H
InChIKeyVJCIIUYJVZVZQE-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

1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1-(10-dibenzofuran-2-ylanthracen-9-yl)-4-(2-phenylphenyl)dibenzofuran
CID 165169659
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
2-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160925519
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
4-[10-(2-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 167187249
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 130185376
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834

Frequently Asked Questions

What is the IUPAC name of 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran (CID 174297149) is 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran is c1ccc(-c2cccc3c2oc2ccccc23)c(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)cc2)c1.
What is the InChIKey of 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is VJCIIUYJVZVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-2-14-34(40-21-11-22-41-35-15-7-9-24-44(35)52-50(40)41)33(13-1)31-27-29-32(30-28-31)47-36-16-3-5-18-38(36)48(39-19-6-4-17-37(39)47)43-23-12-26-46-49(43)42-20-8-10-25-45(42)51-46/h1-30H.
What are the key properties of 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-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 1-[10-[4-(2-dibenzofuran-4-ylphenyl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 174297149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).