deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C151H102O4 — CID 161066253

IUPACdeuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILES[2H]C.[2H]C.[2H]C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3oc4cc5oc6ccccc6c5cc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6ccc7oc8ccc(-c9ccccc9)cc8c7c6c5)c5ccccc45)c3c2)cc1
InChIInChI=1S/C54H32O2.C52H32O.C42H26O.3CH4/c1-2-13-34(14-3-1)39-29-30-45(54-53(39)47-31-46-40-18-10-11-24-48(40)55-49(46)32-50(47)56-54)52-43-21-8-6-19-41(43)51(42-20-7-9-22-44(42)52)36-27-25-35(26-28-36)38-23-12-16-33-15-4-5-17-37(33)38;1-3-12-33(13-4-1)37-24-22-35-16-11-21-44(45(35)30-37)51-42-19-9-7-17-40(42)50(41-18-8-10-20-43(41)51)39-25-23-36-26-29-49-52(46(36)32-39)47-31-38(27-28-48(47)53-49)34-14-5-2-6-15-34;1-2-11-27(12-3-1)28-21-23-30(24-22-28)39-32-15-6-8-17-34(32)40(35-18-9-7-16-33(35)39)36-19-10-20-38-41(36)37-26-25-29-13-4-5-14-31(29)42(37)43-38;;;/h1-32H;1-32H;1-26H;3*1H4/i;;;3*1D
InChIKeyUEBFDJIYUNIWGW-WMAGKGSMSA-N
MW1983.49 g/mol
LogP44.43
Rot. Bonds11

About deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 161066253) has the molecular formula C151H102O4 and a molecular weight of 1983.49 g/mol. Its IUPAC name is deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Namedeuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
PubChem CID161066253
Molecular FormulaC151H102O4
Molecular Weight1983.49 g/mol
Exact Mass1981.80
IUPAC Namedeuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
SMILES[2H]C.[2H]C.[2H]C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3oc4cc5oc6ccccc6c5cc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6ccc7oc8ccc(-c9ccccc9)cc8c7c6c5)c5ccccc45)c3c2)cc1
InChIInChI=1S/C54H32O2.C52H32O.C42H26O.3CH4/c1-2-13-34(14-3-1)39-29-30-45(54-53(39)47-31-46-40-18-10-11-24-48(40)55-49(46)32-50(47)56-54)52-43-21-8-6-19-41(43)51(42-20-7-9-22-44(42)52)36-27-25-35(26-28-36)38-23-12-16-33-15-4-5-17-37(33)38;1-3-12-33(13-4-1)37-24-22-35-16-11-21-44(45(35)30-37)51-42-19-9-7-17-40(42)50(41-18-8-10-20-43(41)51)39-25-23-36-26-29-49-52(46(36)32-39)47-31-38(27-28-48(47)53-49)34-14-5-2-6-15-34;1-2-11-27(12-3-1)28-21-23-30(24-22-28)39-32-15-6-8-17-34(32)40(35-18-9-7-16-33(35)39)36-19-10-20-38-41(36)37-26-25-29-13-4-5-14-31(29)42(37)43-38;;;/h1-32H;1-32H;1-26H;3*1H4/i;;;3*1D
InChIKeyUEBFDJIYUNIWGW-WMAGKGSMSA-N
XLogP44.43
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms155
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001983.49
LogP ≤ 544.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 161066253) is deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is [2H]C.[2H]C.[2H]C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3oc4cc5oc6ccccc6c5cc4c23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6ccc7oc8ccc(-c9ccccc9)cc8c7c6c5)c5ccccc45)c3c2)cc1.
What is the InChIKey of deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is UEBFDJIYUNIWGW-WMAGKGSMSA-N. The full InChI is InChI=1S/C54H32O2.C52H32O.C42H26O.3CH4/c1-2-13-34(14-3-1)39-29-30-45(54-53(39)47-31-46-40-18-10-11-24-48(40)55-49(46)32-50(47)56-54)52-43-21-8-6-19-41(43)51(42-20-7-9-22-44(42)52)36-27-25-35(26-28-36)38-23-12-16-33-15-4-5-17-37(33)38;1-3-12-33(13-4-1)37-24-22-35-16-11-21-44(45(35)30-37)51-42-19-9-7-17-40(42)50(41-18-8-10-20-43(41)51)39-25-23-36-26-29-49-52(46(36)32-39)47-31-38(27-28-48(47)53-49)34-14-5-2-6-15-34;1-2-11-27(12-3-1)28-21-23-30(24-22-28)39-32-15-6-8-17-34(32)40(35-18-9-7-16-33(35)39)36-19-10-20-38-41(36)37-26-25-29-13-4-5-14-31(29)42(37)43-38;;;/h1-32H;1-32H;1-26H;3*1H4/i;;;3*1D.
What are the key properties of deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?
deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 1983.49 g/mol, XLogP of 44.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-5-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;10-phenyl-2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 161066253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).