4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran

C54H32O2 — CID 155334125

IUPAC4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2c(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)ccc3ccccc23)cc1
InChIInChI=1S/C54H32O2/c1-2-15-34(16-3-1)51-35-17-5-4-14-33(35)30-31-46(51)52-40-22-10-20-36(42-24-12-26-44-38-18-6-8-28-49(38)55-53(42)44)47(40)32-48-37(21-11-23-41(48)52)43-25-13-27-45-39-19-7-9-29-50(39)56-54(43)45/h1-32H
InChIKeyDVUGRVSNPSDDJE-UHFFFAOYSA-N
MW712.85 g/mol
LogP15.61
Rot. Bonds4

About 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran

4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran (PubChem CID 155334125) has the molecular formula C54H32O2 and a molecular weight of 712.85 g/mol. Its IUPAC name is 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
PubChem CID155334125
Molecular FormulaC54H32O2
Molecular Weight712.85 g/mol
Exact Mass712.24
IUPAC Name4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2c(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)ccc3ccccc23)cc1
InChIInChI=1S/C54H32O2/c1-2-15-34(16-3-1)51-35-17-5-4-14-33(35)30-31-46(51)52-40-22-10-20-36(42-24-12-26-44-38-18-6-8-28-49(38)55-53(42)44)47(40)32-48-37(21-11-23-41(48)52)43-25-13-27-45-39-19-7-9-29-50(39)56-54(43)45/h1-32H
InChIKeyDVUGRVSNPSDDJE-UHFFFAOYSA-N
XLogP15.61
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 515.61
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

4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852
8-[10-(7-phenylnaphthalen-1-yl)anthracen-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 174289652

Frequently Asked Questions

What is the IUPAC name of 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran (CID 155334125) is 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran is c1ccc(-c2c(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)ccc3ccccc23)cc1.
What is the InChIKey of 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran?
The InChIKey is DVUGRVSNPSDDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O2/c1-2-15-34(16-3-1)51-35-17-5-4-14-33(35)30-31-46(51)52-40-22-10-20-36(42-24-12-26-44-38-18-6-8-28-49(38)55-53(42)44)47(40)32-48-37(21-11-23-41(48)52)43-25-13-27-45-39-19-7-9-29-50(39)56-54(43)45/h1-32H.
What are the key properties of 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran?
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 712.85 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155334125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).