deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran

C161H108O3 — CID 159175384

IUPACdeuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran
SMILES[2H]C.[2H]C.[2H]C.c1ccc(-c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc3c2oc2cc4ccccc4cc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3c(c2)oc2c4ccccc4ccc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)c3c(c2)oc2c4ccccc4ccc23)cc1
InChIInChI=1S/C56H34O.C52H32O.C50H30O.3CH4/c1-2-15-35(16-3-1)38-33-51(55-50-30-29-37-18-5-7-21-40(37)56(50)57-52(55)34-38)54-47-26-12-10-24-45(47)53(46-25-11-13-27-48(46)54)49-32-31-44(42-22-8-9-23-43(42)49)41-28-14-19-36-17-4-6-20-39(36)41;1-2-12-33(13-3-1)40-31-47(51-46-29-28-36-15-6-7-17-41(36)52(46)53-48(51)32-40)50-44-20-10-8-18-42(44)49(43-19-9-11-21-45(43)50)37-25-22-35(23-26-37)39-27-24-34-14-4-5-16-38(34)30-39;1-2-14-31(15-3-1)43-28-35(29-46-44-26-32-16-4-5-17-33(32)30-47(44)51-50(43)46)48-39-22-10-12-24-41(39)49(42-25-13-11-23-40(42)48)45-27-34-18-6-7-19-36(34)37-20-8-9-21-38(37)45;;;/h1-34H;1-32H;1-30H;3*1H4/i;;;3*1D
InChIKeyKMFBSWLTGSNEMT-WMAGKGSMSA-N
MW2093.65 g/mol
LogP47.15
Rot. Bonds11

About deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran

deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran (PubChem CID 159175384) has the molecular formula C161H108O3 and a molecular weight of 2093.65 g/mol. Its IUPAC name is deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Namedeuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran
PubChem CID159175384
Molecular FormulaC161H108O3
Molecular Weight2093.65 g/mol
Exact Mass2091.85
IUPAC Namedeuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran
SMILES[2H]C.[2H]C.[2H]C.c1ccc(-c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc3c2oc2cc4ccccc4cc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3c(c2)oc2c4ccccc4ccc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)c3c(c2)oc2c4ccccc4ccc23)cc1
InChIInChI=1S/C56H34O.C52H32O.C50H30O.3CH4/c1-2-15-35(16-3-1)38-33-51(55-50-30-29-37-18-5-7-21-40(37)56(50)57-52(55)34-38)54-47-26-12-10-24-45(47)53(46-25-11-13-27-48(46)54)49-32-31-44(42-22-8-9-23-43(42)49)41-28-14-19-36-17-4-6-20-39(36)41;1-2-12-33(13-3-1)40-31-47(51-46-29-28-36-15-6-7-17-41(36)52(46)53-48(51)32-40)50-44-20-10-8-18-42(44)49(43-19-9-11-21-45(43)50)37-25-22-35(23-26-37)39-27-24-34-14-4-5-16-38(34)30-39;1-2-14-31(15-3-1)43-28-35(29-46-44-26-32-16-4-5-17-33(32)30-47(44)51-50(43)46)48-39-22-10-12-24-41(39)49(42-25-13-11-23-40(42)48)45-27-34-18-6-7-19-36(34)37-20-8-9-21-38(37)45;;;/h1-34H;1-32H;1-30H;3*1H4/i;;;3*1D
InChIKeyKMFBSWLTGSNEMT-WMAGKGSMSA-N
XLogP47.15
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002093.65
LogP ≤ 547.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,10-diphenylanthracen-9-yl)phenyl]dibenzofuran;7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 162178990
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159449989
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 167707786
2-(10-naphthalen-1-ylanthracen-9-yl)-4-(4-phenylnaphthalen-2-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158350567
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
4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188810
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158272088
8-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 161186579
9-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran;9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran;3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,3-b][1]benzofuran;9-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran;9-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159106970
2-(10-naphthalen-1-ylanthracen-9-yl)-6,7-diphenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-7-(2-phenylphenyl)dibenzofuran;1-phenyl-8-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 158780086
8-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 158036336
7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;8-phenyl-7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;9-phenyl-7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 165111131

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran (CID 159175384) is deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran is [2H]C.[2H]C.[2H]C.c1ccc(-c2cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc3c2oc2cc4ccccc4cc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3c(c2)oc2c4ccccc4ccc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)c3c(c2)oc2c4ccccc4ccc23)cc1.
What is the InChIKey of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran?
The InChIKey is KMFBSWLTGSNEMT-WMAGKGSMSA-N. The full InChI is InChI=1S/C56H34O.C52H32O.C50H30O.3CH4/c1-2-15-35(16-3-1)38-33-51(55-50-30-29-37-18-5-7-21-40(37)56(50)57-52(55)34-38)54-47-26-12-10-24-45(47)53(46-25-11-13-27-48(46)54)49-32-31-44(42-22-8-9-23-43(42)49)41-28-14-19-36-17-4-6-20-39(36)41;1-2-12-33(13-3-1)40-31-47(51-46-29-28-36-15-6-7-17-41(36)52(46)53-48(51)32-40)50-44-20-10-8-18-42(44)49(43-19-9-11-21-45(43)50)37-25-22-35(23-26-37)39-27-24-34-14-4-5-16-38(34)30-39;1-2-14-31(15-3-1)43-28-35(29-46-44-26-32-16-4-5-17-33(32)30-47(44)51-50(43)46)48-39-22-10-12-24-41(39)49(42-25-13-11-23-40(42)48)45-27-34-18-6-7-19-36(34)37-20-8-9-21-38(37)45;;;/h1-34H;1-32H;1-30H;3*1H4/i;;;3*1D.
What are the key properties of deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran?
deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran has a molecular weight of 2093.65 g/mol, XLogP of 47.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;7-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;7-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9-phenylnaphtho[1,2-b][1]benzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-4-phenylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 159175384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).