deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran

C142H94O3 — CID 163644950

IUPACdeuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
SMILES[H][2H].[H][2H].[H][2H].c1ccc(-c2cccc(-c3ccc4c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cccc4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4c3)c2)cc1.c1ccc2cc(-c3ccc4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4c3)ccc2c1
InChIInChI=1S/2C48H30O.C46H28O.3H2/c1-2-12-31(13-3-1)33-15-10-16-34(28-33)35-25-24-32-14-11-22-42(43(32)29-35)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)36-26-27-46-44(30-36)37-17-8-9-23-45(37)49-46;1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-26-37-35(29-34)16-11-22-39(37)48-42-20-6-4-18-40(42)47(41-19-5-7-21-43(41)48)36-25-27-46-44(30-36)38-17-8-9-23-45(38)49-46;1-2-11-31-26-32(22-20-29(31)10-1)33-23-21-30-12-9-18-40(41(30)27-33)46-38-16-5-3-14-36(38)45(37-15-4-6-17-39(37)46)34-24-25-44-42(28-34)35-13-7-8-19-43(35)47-44;;;/h2*1-30H;1-28H;3*1H/i;;;3*1+1
InChIKeyIHLKCJLHSOOHIM-GNQDDQHOSA-N
MW1851.33 g/mol
LogP41.37
Rot. Bonds11

About deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran

deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran (PubChem CID 163644950) has the molecular formula C142H94O3 and a molecular weight of 1851.33 g/mol. Its IUPAC name is deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Namedeuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
PubChem CID163644950
Molecular FormulaC142H94O3
Molecular Weight1851.33 g/mol
Exact Mass1849.74
IUPAC Namedeuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
SMILES[H][2H].[H][2H].[H][2H].c1ccc(-c2cccc(-c3ccc4c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cccc4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4c3)c2)cc1.c1ccc2cc(-c3ccc4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4c3)ccc2c1
InChIInChI=1S/2C48H30O.C46H28O.3H2/c1-2-12-31(13-3-1)33-15-10-16-34(28-33)35-25-24-32-14-11-22-42(43(32)29-35)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)36-26-27-46-44(30-36)37-17-8-9-23-45(37)49-46;1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-26-37-35(29-34)16-11-22-39(37)48-42-20-6-4-18-40(42)47(41-19-5-7-21-43(41)48)36-25-27-46-44(30-36)38-17-8-9-23-45(38)49-46;1-2-11-31-26-32(22-20-29(31)10-1)33-23-21-30-12-9-18-40(41(30)27-33)46-38-16-5-3-14-36(38)45(37-15-4-6-17-39(37)46)34-24-25-44-42(28-34)35-13-7-8-19-43(35)47-44;;;/h2*1-30H;1-28H;3*1H/i;;;3*1+1
InChIKeyIHLKCJLHSOOHIM-GNQDDQHOSA-N
XLogP41.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001851.33
LogP ≤ 541.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

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
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898
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
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
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-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 161162681
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-[10-[7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448218
deuterium monohydride;1-[10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 163894807
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 163725352
9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene
CID 159984681
9-(3-naphthalen-1-ylphenyl)-10-(7-phenylnaphthalen-1-yl)anthracene;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
CID 165000959

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
The IUPAC name of deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran (CID 163644950) is deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran is [H][2H].[H][2H].[H][2H].c1ccc(-c2cccc(-c3ccc4c(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)cccc4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4c3)c2)cc1.c1ccc2cc(-c3ccc4cccc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c4c3)ccc2c1.
What is the InChIKey of deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
The InChIKey is IHLKCJLHSOOHIM-GNQDDQHOSA-N. The full InChI is InChI=1S/2C48H30O.C46H28O.3H2/c1-2-12-31(13-3-1)33-15-10-16-34(28-33)35-25-24-32-14-11-22-42(43(32)29-35)48-40-20-6-4-18-38(40)47(39-19-5-7-21-41(39)48)36-26-27-46-44(30-36)37-17-8-9-23-45(37)49-46;1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-26-37-35(29-34)16-11-22-39(37)48-42-20-6-4-18-40(42)47(41-19-5-7-21-43(41)48)36-25-27-46-44(30-36)38-17-8-9-23-45(38)49-46;1-2-11-31-26-32(22-20-29(31)10-1)33-23-21-30-12-9-18-40(41(30)27-33)46-38-16-5-3-14-36(38)45(37-15-4-6-17-39(37)46)34-24-25-44-42(28-34)35-13-7-8-19-43(35)47-44;;;/h2*1-30H;1-28H;3*1H/i;;;3*1+1.
What are the key properties of deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran?
deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran has a molecular weight of 1851.33 g/mol, XLogP of 41.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 163644950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).