2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran

C54H32O2 — CID 168795842

IUPAC2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
SMILESc1ccc(-c2ccc3c(-c4ccc5oc6cc(-c7cccc8ccccc78)ccc6c5c4)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C54H32O2/c1-2-11-33(12-3-1)35-21-26-45-48(29-35)54(38-24-27-50-46(31-38)41-16-8-9-20-49(41)55-50)44-18-7-6-17-43(44)53(45)37-23-28-51-47(30-37)42-25-22-36(32-52(42)56-51)40-19-10-14-34-13-4-5-15-39(34)40/h1-32H
InChIKeyYTEVPQOEINEPQK-UHFFFAOYSA-N
MW712.85 g/mol
LogP15.61
Rot. Bonds4

About 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran

2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran (PubChem CID 168795842) has the molecular formula C54H32O2 and a molecular weight of 712.85 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
PubChem CID168795842
Molecular FormulaC54H32O2
Molecular Weight712.85 g/mol
Exact Mass712.24
IUPAC Name2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
SMILESc1ccc(-c2ccc3c(-c4ccc5oc6cc(-c7cccc8ccccc78)ccc6c5c4)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C54H32O2/c1-2-11-33(12-3-1)35-21-26-45-48(29-35)54(38-24-27-50-46(31-38)41-16-8-9-20-49(41)55-50)44-18-7-6-17-43(44)53(45)37-23-28-51-47(30-37)42-25-22-36(32-52(42)56-51)40-19-10-14-34-13-4-5-15-39(34)40/h1-32H
InChIKeyYTEVPQOEINEPQK-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

2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;3-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 163870537
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 161333068

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
The IUPAC name of 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran (CID 168795842) is 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
The canonical SMILES for 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran is c1ccc(-c2ccc3c(-c4ccc5oc6cc(-c7cccc8ccccc78)ccc6c5c4)c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
The InChIKey is YTEVPQOEINEPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O2/c1-2-11-33(12-3-1)35-21-26-45-48(29-35)54(38-24-27-50-46(31-38)41-16-8-9-20-49(41)55-50)44-18-7-6-17-43(44)53(45)37-23-28-51-47(30-37)42-25-22-36(32-52(42)56-51)40-19-10-14-34-13-4-5-15-39(34)40/h1-32H.
What are the key properties of 2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran?
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran 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-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran is sourced from PubChem (CID 168795842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).