2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine

C138H101N7O2 — CID 158832525

IUPAC2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine
SMILESCC1(C)COC(c2cncc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)=N1.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)C1(C)C.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cncc(C6=NCCO6)c5)ccc34)ccc2c1
InChIInChI=1S/C52H41N3.C44H32N2O.C42H28N2O/c1-51(2)52(3,4)55(50(54-51)36-16-6-5-7-17-36)42-27-29-47(53-33-42)39-26-28-45-46(32-39)49(41-25-23-35-15-9-11-19-38(35)31-41)44-21-13-12-20-43(44)48(45)40-24-22-34-14-8-10-18-37(34)30-40;1-44(2)27-47-43(46-44)36-23-35(25-45-26-36)32-19-20-39-40(24-32)42(34-18-16-29-10-4-6-12-31(29)22-34)38-14-8-7-13-37(38)41(39)33-17-15-28-9-3-5-11-30(28)21-33;1-3-9-29-21-32(15-13-27(29)7-1)40-36-11-5-6-12-37(36)41(33-16-14-28-8-2-4-10-30(28)22-33)39-24-31(17-18-38(39)40)34-23-35(26-43-25-34)42-44-19-20-45-42/h5-33H,1-4H3;3-26H,27H2,1-2H3;1-18,21-26H,19-20H2
InChIKeyIXFMXYFSPCGGRX-UHFFFAOYSA-N
MW1889.37 g/mol
LogP35.24
Rot. Bonds13

About 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine

2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine (PubChem CID 158832525) has the molecular formula C138H101N7O2 and a molecular weight of 1889.37 g/mol. Its IUPAC name is 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine
PubChem CID158832525
Molecular FormulaC138H101N7O2
Molecular Weight1889.37 g/mol
Exact Mass1887.80
IUPAC Name2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine
SMILESCC1(C)COC(c2cncc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)=N1.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)C1(C)C.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cncc(C6=NCCO6)c5)ccc34)ccc2c1
InChIInChI=1S/C52H41N3.C44H32N2O.C42H28N2O/c1-51(2)52(3,4)55(50(54-51)36-16-6-5-7-17-36)42-27-29-47(53-33-42)39-26-28-45-46(32-39)49(41-25-23-35-15-9-11-19-38(35)31-41)44-21-13-12-20-43(44)48(45)40-24-22-34-14-8-10-18-37(34)30-40;1-44(2)27-47-43(46-44)36-23-35(25-45-26-36)32-19-20-39-40(24-32)42(34-18-16-29-10-4-6-12-31(29)22-34)38-14-8-7-13-37(38)41(39)33-17-15-28-9-3-5-11-30(28)21-33;1-3-9-29-21-32(15-13-27(29)7-1)40-36-11-5-6-12-37(36)41(33-16-14-28-8-2-4-10-30(28)22-33)39-24-31(17-18-38(39)40)34-23-35(26-43-25-34)42-44-19-20-45-42/h5-33H,1-4H3;3-26H,27H2,1-2H3;1-18,21-26H,19-20H2
InChIKeyIXFMXYFSPCGGRX-UHFFFAOYSA-N
XLogP35.24
TPSA97.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001889.37
LogP ≤ 535.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine with MolForge

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Related Compounds

2,2'-(4,4'-Bis((benzyloxy)methyl)-[1,1'-biphenyl]-2,2'-diyl)bis(3-methylpyridine)
CID 155908948
5-[4-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)phenyl]-9-oxa-3,15-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 68189171
2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249590
4,4-dimethyl-2-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole
CID 135249612
4,4-dimethyl-2-[5-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]-5H-1,3-oxazole
CID 135249657
2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249714
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249723
2-[6-(9,10-Dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135249724
2-[6-(9,10-Dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
CID 135249726
2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249735
2-[5-[10-[6-(4,5-Dihydro-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135249851
4,4,5,5-Tetramethyl-2-[5-[3-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 135249854

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
The IUPAC name of 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine (CID 158832525) is 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine.
What is the SMILES notation for 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
The canonical SMILES for 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine is CC1(C)COC(c2cncc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)=N1.CC1(C)N=C(c2ccccc2)N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)C1(C)C.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cncc(C6=NCCO6)c5)ccc34)ccc2c1.
What is the InChIKey of 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
The InChIKey is IXFMXYFSPCGGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N3.C44H32N2O.C42H28N2O/c1-51(2)52(3,4)55(50(54-51)36-16-6-5-7-17-36)42-27-29-47(53-33-42)39-26-28-45-46(32-39)49(41-25-23-35-15-9-11-19-38(35)31-41)44-21-13-12-20-43(44)48(45)40-24-22-34-14-8-10-18-37(34)30-40;1-44(2)27-47-43(46-44)36-23-35(25-45-26-36)32-19-20-39-40(24-32)42(34-18-16-29-10-4-6-12-31(29)22-34)38-14-8-7-13-37(38)41(39)33-17-15-28-9-3-5-11-30(28)21-33;1-3-9-29-21-32(15-13-27(29)7-1)40-36-11-5-6-12-37(36)41(33-16-14-28-8-2-4-10-30(28)22-33)39-24-31(17-18-38(39)40)34-23-35(26-43-25-34)42-44-19-20-45-42/h5-33H,1-4H3;3-26H,27H2,1-2H3;1-18,21-26H,19-20H2.
What are the key properties of 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine has a molecular weight of 1889.37 g/mol, XLogP of 35.24, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine is sourced from PubChem (CID 158832525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).