4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran

C38H22O2 — CID 88910037

IUPAC4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)c3cccc(-c4cccc5c4oc4ccccc45)c3cc2c1
InChIInChI=1S/C38H22O2/c1-2-11-24-23(10-1)22-33-25(29-16-8-17-30-26-12-3-5-20-34(26)39-37(29)30)14-7-15-28(33)36(24)32-19-9-18-31-27-13-4-6-21-35(27)40-38(31)32/h1-22H
InChIKeyMMUBXBSFHCOOOG-UHFFFAOYSA-N
MW510.59 g/mol
LogP11.13
Rot. Bonds2

About 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran

4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran (PubChem CID 88910037) has the molecular formula C38H22O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
PubChem CID88910037
Molecular FormulaC38H22O2
Molecular Weight510.59 g/mol
Exact Mass510.16
IUPAC Name4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)c3cccc(-c4cccc5c4oc4ccccc45)c3cc2c1
InChIInChI=1S/C38H22O2/c1-2-11-24-23(10-1)22-33-25(29-16-8-17-30-26-12-3-5-20-34(26)39-37(29)30)14-7-15-28(33)36(24)32-19-9-18-31-27-13-4-6-21-35(27)40-38(31)32/h1-22H
InChIKeyMMUBXBSFHCOOOG-UHFFFAOYSA-N
XLogP11.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 511.13
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-anthracen-9-yldibenzofuran
CID 167187282
8-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 170654328
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657
4-[10-(2-fluoranthen-3-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454066
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
2-(10-dibenzofuran-4-ylanthracen-9-yl)benzo[g][1]benzofuran
CID 174306733

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran (CID 88910037) is 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran is c1ccc2c(-c3cccc4c3oc3ccccc34)c3cccc(-c4cccc5c4oc4ccccc45)c3cc2c1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran?
The InChIKey is MMUBXBSFHCOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22O2/c1-2-11-24-23(10-1)22-33-25(29-16-8-17-30-26-12-3-5-20-34(26)39-37(29)30)14-7-15-28(33)36(24)32-19-9-18-31-27-13-4-6-21-35(27)40-38(31)32/h1-22H.
What are the key properties of 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran?
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran has a molecular weight of 510.59 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 88910037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).