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

C158H98O4 — CID 167561515

IUPAC2-(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
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/2C42H26O.C38H24O.C36H22O/c1-2-15-31-27(11-1)12-10-21-32(31)28-13-9-14-29(25-28)41-34-17-3-5-19-36(34)42(37-20-6-4-18-35(37)41)30-23-24-40-38(26-30)33-16-7-8-22-39(33)43-40;1-2-11-28-24-30(21-20-27(28)10-1)29-12-9-13-31(25-29)41-34-15-3-5-17-36(34)42(37-18-6-4-16-35(37)41)32-22-23-40-38(26-32)33-14-7-8-19-39(33)43-40;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h2*1-26H;1-24H;1-22H
InChIKeyDSHWVBNIFOBYGC-UHFFFAOYSA-N
MW2060.52 g/mol
LogP45.37
Rot. Bonds11

About 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

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 (PubChem CID 167561515) has the molecular formula C158H98O4 and a molecular weight of 2060.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID167561515
Molecular FormulaC158H98O4
Molecular Weight2060.52 g/mol
Exact Mass2058.75
IUPAC Name2-(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
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/2C42H26O.C38H24O.C36H22O/c1-2-15-31-27(11-1)12-10-21-32(31)28-13-9-14-29(25-28)41-34-17-3-5-19-36(34)42(37-20-6-4-18-35(37)41)30-23-24-40-38(26-30)33-16-7-8-22-39(33)43-40;1-2-11-28-24-30(21-20-27(28)10-1)29-12-9-13-31(25-29)41-34-15-3-5-17-36(34)42(37-18-6-4-16-35(37)41)32-22-23-40-38(26-32)33-14-7-8-19-39(33)43-40;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h2*1-26H;1-24H;1-22H
InChIKeyDSHWVBNIFOBYGC-UHFFFAOYSA-N
XLogP45.37
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms162
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002060.52
LogP ≤ 545.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1.
What is the InChIKey of 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?
The InChIKey is DSHWVBNIFOBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26O.C38H24O.C36H22O/c1-2-15-31-27(11-1)12-10-21-32(31)28-13-9-14-29(25-28)41-34-17-3-5-19-36(34)42(37-20-6-4-18-35(37)41)30-23-24-40-38(26-30)33-16-7-8-22-39(33)43-40;1-2-11-28-24-30(21-20-27(28)10-1)29-12-9-13-31(25-29)41-34-15-3-5-17-36(34)42(37-18-6-4-16-35(37)41)32-22-23-40-38(26-32)33-14-7-8-19-39(33)43-40;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h2*1-26H;1-24H;1-22H.
What are the key properties of 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?
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 has a molecular weight of 2060.52 g/mol, XLogP of 45.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167561515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).