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

C122H76O3 — CID 159962992

About 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

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 (PubChem CID 159962992) has the molecular formula C122H76O3 and a molecular weight of 1589.95 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159962992
• Molecular Formula: C122H76O3
• Molecular Weight: 1589.95 g/mol
• Exact Mass: 1588.58
• IUPAC Name: 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
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/2C42H26O.C38H24O/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)30-24-25-34-33-13-7-8-19-39(33)43-40(34)26-30;1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;1-2-10-26(11-3-1)37-30-13-4-6-15-32(30)38(33-16-7-5-14-31(33)37)27-20-18-25(19-21-27)28-22-23-36-34(24-28)29-12-8-9-17-35(29)39-36/h2*1-26H;1-24H
• InChIKey: ODOLPBNQGWORQM-UHFFFAOYSA-N
• XLogP: 34.99
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1589.95
LogP ≤ 5	34.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 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?

The InChIKey is ODOLPBNQGWORQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26O.C38H24O/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)30-24-25-34-33-13-7-8-19-39(33)43-40(34)26-30;1-2-10-30-25-31(22-19-27(30)9-1)28-17-20-29(21-18-28)41-34-12-3-5-14-36(34)42(37-15-6-4-13-35(37)41)32-23-24-40-38(26-32)33-11-7-8-16-39(33)43-40;1-2-10-26(11-3-1)37-30-13-4-6-15-32(30)38(33-16-7-5-14-31(33)37)27-20-18-25(19-21-27)28-22-23-36-34(24-28)29-12-8-9-17-35(29)39-36/h2*1-26H;1-24H.

What are the key properties of 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?

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 has a molecular weight of 1589.95 g/mol, XLogP of 34.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159962992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).