2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran

C70H42O2 — CID 143914037

IUPAC2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc23)c1
InChIInChI=1S/C70H42O2/c1-3-21-53-43(13-1)15-11-25-55(53)49-17-9-19-51(37-49)69-59-33-29-46(48-32-36-68-62(40-48)58-24-6-8-28-66(58)72-68)42-64(59)70(52-20-10-18-50(38-52)56-26-12-16-44-14-2-4-22-54(44)56)60-34-30-45(41-63(60)69)47-31-35-67-61(39-47)57-23-5-7-27-65(57)71-67/h1-42H
InChIKeyVZCPTTFCUYRRNQ-UHFFFAOYSA-N
MW915.10 g/mol
LogP20.10
Rot. Bonds6

About 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran

2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran (PubChem CID 143914037) has the molecular formula C70H42O2 and a molecular weight of 915.10 g/mol. Its IUPAC name is 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran.

Molecular Properties

Compound Name2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
PubChem CID143914037
Molecular FormulaC70H42O2
Molecular Weight915.10 g/mol
Exact Mass914.32
IUPAC Name2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc23)c1
InChIInChI=1S/C70H42O2/c1-3-21-53-43(13-1)15-11-25-55(53)49-17-9-19-51(37-49)69-59-33-29-46(48-32-36-68-62(40-48)58-24-6-8-28-66(58)72-68)42-64(59)70(52-20-10-18-50(38-52)56-26-12-16-44-14-2-4-22-54(44)56)60-34-30-45(41-63(60)69)47-31-35-67-61(39-47)57-23-5-7-27-65(57)71-67/h1-42H
InChIKeyVZCPTTFCUYRRNQ-UHFFFAOYSA-N
XLogP20.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.10
LogP ≤ 520.10
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-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
9-naphthalen-2-yl-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;2-[3-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158302263
2-[9,10-bis(4-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(3-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran;2-[9,10-bis(4-phenanthren-9-ylphenyl)anthracen-2-yl]dibenzofuran
CID 162138593
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran?
The IUPAC name of 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran (CID 143914037) is 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran.
What is the SMILES notation for 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran?
The canonical SMILES for 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran is c1cc(-c2cccc3ccccc23)cc(-c2c3ccc(-c4ccc5oc6ccccc6c5c4)cc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc23)c1.
What is the InChIKey of 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran?
The InChIKey is VZCPTTFCUYRRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42O2/c1-3-21-53-43(13-1)15-11-25-55(53)49-17-9-19-51(37-49)69-59-33-29-46(48-32-36-68-62(40-48)58-24-6-8-28-66(58)72-68)42-64(59)70(52-20-10-18-50(38-52)56-26-12-16-44-14-2-4-22-54(44)56)60-34-30-45(41-63(60)69)47-31-35-67-61(39-47)57-23-5-7-27-65(57)71-67/h1-42H.
What are the key properties of 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran?
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran has a molecular weight of 915.10 g/mol, XLogP of 20.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran is sourced from PubChem (CID 143914037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).