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

C54H32O2 — CID 134164781

IUPAC2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6oc7ccccc7c56)ccc5oc6ccccc6c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C54H32O2/c1-2-15-33(16-3-1)50-36-19-6-8-21-38(36)51(39-22-9-7-20-37(39)50)41-29-30-42(35-18-5-4-17-34(35)41)53-43(31-32-49-54(53)45-24-11-13-27-47(45)56-49)40-25-14-28-48-52(40)44-23-10-12-26-46(44)55-48/h1-32H
InChIKeyMNJUVLHJMUTSMN-UHFFFAOYSA-N
MW712.85 g/mol
LogP15.61
Rot. Bonds4

About 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (PubChem CID 134164781) has the molecular formula C54H32O2 and a molecular weight of 712.85 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
PubChem CID134164781
Molecular FormulaC54H32O2
Molecular Weight712.85 g/mol
Exact Mass712.24
IUPAC Name2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6oc7ccccc7c56)ccc5oc6ccccc6c45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C54H32O2/c1-2-15-33(16-3-1)50-36-19-6-8-21-38(36)51(39-22-9-7-20-37(39)50)41-29-30-42(35-18-5-4-17-34(35)41)53-43(31-32-49-54(53)45-24-11-13-27-47(45)56-49)40-25-14-28-48-52(40)44-23-10-12-26-46(44)55-48/h1-32H
InChIKeyMNJUVLHJMUTSMN-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

1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
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-[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
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran
CID 166872380
2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
CID 174307533
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 134164763

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (CID 134164781) is 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6oc7ccccc7c56)ccc5oc6ccccc6c45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The InChIKey is MNJUVLHJMUTSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O2/c1-2-15-33(16-3-1)50-36-19-6-8-21-38(36)51(39-22-9-7-20-37(39)50)41-29-30-42(35-18-5-4-17-34(35)41)53-43(31-32-49-54(53)45-24-11-13-27-47(45)56-49)40-25-14-28-48-52(40)44-23-10-12-26-46(44)55-48/h1-32H.
What are the key properties of 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-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 2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 134164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).