deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

C145H100O3 — CID 157270213

About deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 157270213) has the molecular formula C145H100O3 and a molecular weight of 1893.41 g/mol. Its IUPAC name is deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
• PubChem CID: 157270213
• Molecular Formula: C145H100O3
• Molecular Weight: 1893.41 g/mol
• Exact Mass: 1891.79
• IUPAC Name: deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
• SMILES: [2H]C.[2H]C.[2H]C.c1ccc(-c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3oc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)c3oc4ccccc4c3c2)cc1.c1ccc(-c2ccc3c(oc4ccccc43)c2-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/2C48H30O.C46H28O.3CH4/c1-3-15-31(16-4-1)33-29-43-37-21-13-14-26-45(37)49-48(43)44(30-33)47-40-24-11-9-22-38(40)46(39-23-10-12-25-41(39)47)42-28-27-34(32-17-5-2-6-18-32)35-19-7-8-20-36(35)42;1-2-13-33(14-3-1)37-28-29-43-38-16-10-11-21-44(38)49-48(43)47(37)46-41-19-8-6-17-39(41)45(40-18-7-9-20-42(40)46)34-25-22-32(23-26-34)36-27-24-31-12-4-5-15-35(31)30-36;1-2-14-29(15-3-1)31-27-41-35-20-12-13-25-43(35)47-46(41)42(28-31)45-38-23-10-8-21-36(38)44(37-22-9-11-24-39(37)45)40-26-30-16-4-5-17-32(30)33-18-6-7-19-34(33)40;;;/h2*1-30H;1-28H;3*1H4/i;;;3*1D
• InChIKey: AYLGIGPZNXDNJQ-WMAGKGSMSA-N
• XLogP: 42.54
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1893.41
LogP ≤ 5	42.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

The IUPAC name of deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (CID 157270213) is deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is [2H]C.[2H]C.[2H]C.c1ccc(-c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3oc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)c3oc4ccccc4c3c2)cc1.c1ccc(-c2ccc3c(oc4ccccc43)c2-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.

What is the InChIKey of deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

The InChIKey is AYLGIGPZNXDNJQ-WMAGKGSMSA-N. The full InChI is InChI=1S/2C48H30O.C46H28O.3CH4/c1-3-15-31(16-4-1)33-29-43-37-21-13-14-26-45(37)49-48(43)44(30-33)47-40-24-11-9-22-38(40)46(39-23-10-12-25-41(39)47)42-28-27-34(32-17-5-2-6-18-32)35-19-7-8-20-36(35)42;1-2-13-33(14-3-1)37-28-29-43-38-16-10-11-21-44(38)49-48(43)47(37)46-41-19-8-6-17-39(41)45(40-18-7-9-20-42(40)46)34-25-22-32(23-26-34)36-27-24-31-12-4-5-15-35(31)30-36;1-2-14-29(15-3-1)31-27-41-35-20-12-13-25-43(35)47-46(41)42(28-31)45-38-23-10-8-21-36(38)44(37-22-9-11-24-39(37)45)40-26-30-16-4-5-17-32(30)33-18-6-7-19-34(33)40;;;/h2*1-30H;1-28H;3*1H4/i;;;3*1D.

What are the key properties of deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 1893.41 g/mol, XLogP of 42.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for deuteriomethane;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyldibenzofuran;2-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 157270213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).