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

C172H114O4 — CID 163894807

IUPACdeuterium 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
SMILES[H][2H].[H][2H].[H][2H].[H][2H].c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cccc3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)c3c2)cc1.c1ccc2c(-c3ccc4cccc(-c5c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc56)c4c3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C46H28O.3C42H26O.4H2/c1-2-15-32-29(12-1)13-9-21-33(32)31-27-26-30-14-10-22-38(41(30)28-31)44-34-16-3-5-18-36(34)45(37-19-6-4-17-35(37)44)40-23-11-25-43-46(40)39-20-7-8-24-42(39)47-43;1-2-11-30-26-31(25-22-27(30)10-1)28-20-23-29(24-21-28)40-32-12-3-5-14-34(32)41(35-15-6-4-13-33(35)40)37-17-9-19-39-42(37)36-16-7-8-18-38(36)43-39;1-2-12-27(13-3-1)28-24-25-30-29(26-28)14-10-20-31(30)40-32-15-4-6-17-34(32)41(35-18-7-5-16-33(35)40)37-21-11-23-39-42(37)36-19-8-9-22-38(36)43-39;1-2-12-27(13-3-1)29-25-24-28-14-10-20-34(37(28)26-29)40-30-15-4-6-17-32(30)41(33-18-7-5-16-31(33)40)36-21-11-23-39-42(36)35-19-8-9-22-38(35)43-39;;;;/h1-28H;3*1-26H;4*1H/i;;;;4*1+1
InChIKeyQERKFULAILGLPF-DZAJDSGJSA-N
MW2248.82 g/mol
LogP50.32
Rot. Bonds12

About 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

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 (PubChem CID 163894807) has the molecular formula C172H114O4 and a molecular weight of 2248.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedeuterium 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
PubChem CID163894807
Molecular FormulaC172H114O4
Molecular Weight2248.82 g/mol
Exact Mass2246.90
IUPAC Namedeuterium 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
SMILES[H][2H].[H][2H].[H][2H].[H][2H].c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cccc3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)c3c2)cc1.c1ccc2c(-c3ccc4cccc(-c5c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc56)c4c3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C46H28O.3C42H26O.4H2/c1-2-15-32-29(12-1)13-9-21-33(32)31-27-26-30-14-10-22-38(41(30)28-31)44-34-16-3-5-18-36(34)45(37-19-6-4-17-35(37)44)40-23-11-25-43-46(40)39-20-7-8-24-42(39)47-43;1-2-11-30-26-31(25-22-27(30)10-1)28-20-23-29(24-21-28)40-32-12-3-5-14-34(32)41(35-15-6-4-13-33(35)40)37-17-9-19-39-42(37)36-16-7-8-18-38(36)43-39;1-2-12-27(13-3-1)28-24-25-30-29(26-28)14-10-20-31(30)40-32-15-4-6-17-34(32)41(35-18-7-5-16-33(35)40)37-21-11-23-39-42(37)36-19-8-9-22-38(36)43-39;1-2-12-27(13-3-1)29-25-24-28-14-10-20-34(37(28)26-29)40-30-15-4-6-17-32(30)41(33-18-7-5-16-31(33)40)36-21-11-23-39-42(36)35-19-8-9-22-38(35)43-39;;;;/h1-28H;3*1-26H;4*1H/i;;;;4*1+1
InChIKeyQERKFULAILGLPF-DZAJDSGJSA-N
XLogP50.32
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002248.82
LogP ≤ 550.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
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
8-[9-naphtho[2,3-b][1]benzofuran-1-yl-10-(7-phenylnaphthalen-2-yl)anthracen-2-yl]-1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167077098
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
2-(4,5-diphenylanthracen-9-yl)dibenzofuran;10-naphthalen-1-yl-1,8-bis(4-phenylphenyl)anthracene;10-naphthalen-1-yl-1,8-diphenylanthracene;1,8,10-trinaphthalen-2-ylanthracene;1,8,10-tris(4-phenylphenyl)anthracene
CID 163912161
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
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
2-[10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)anthracen-1-yl]dibenzofuran;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-1,5-diphenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-1,5-diphenylanthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(4-naphthalen-1-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-1-phenylanthracene;10-naphthalen-1-yl-1-phenyl-9-(3-phenylphenyl)anthracene
CID 162055995

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H][2H].[H][2H].[H][2H].[H][2H].c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cccc3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)c3c2)cc1.c1ccc2c(-c3ccc4cccc(-c5c6ccccc6c(-c6cccc7oc8ccccc8c67)c6ccccc56)c4c3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is QERKFULAILGLPF-DZAJDSGJSA-N. The full InChI is InChI=1S/C46H28O.3C42H26O.4H2/c1-2-15-32-29(12-1)13-9-21-33(32)31-27-26-30-14-10-22-38(41(30)28-31)44-34-16-3-5-18-36(34)45(37-19-6-4-17-35(37)44)40-23-11-25-43-46(40)39-20-7-8-24-42(39)47-43;1-2-11-30-26-31(25-22-27(30)10-1)28-20-23-29(24-21-28)40-32-12-3-5-14-34(32)41(35-15-6-4-13-33(35)40)37-17-9-19-39-42(37)36-16-7-8-18-38(36)43-39;1-2-12-27(13-3-1)28-24-25-30-29(26-28)14-10-20-31(30)40-32-15-4-6-17-34(32)41(35-18-7-5-16-33(35)40)37-21-11-23-39-42(37)36-19-8-9-22-38(36)43-39;1-2-12-27(13-3-1)29-25-24-28-14-10-20-34(37(28)26-29)40-30-15-4-6-17-32(30)41(33-18-7-5-16-31(33)40)36-21-11-23-39-42(36)35-19-8-9-22-38(35)43-39;;;;/h1-28H;3*1-26H;4*1H/i;;;;4*1+1.
What are the key properties of 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?
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 has a molecular weight of 2248.82 g/mol, XLogP of 50.32, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163894807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).