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

C189H153N11O2 — CID 158249541

IUPAC4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine
SMILESCC1(C)COC(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)=N1.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cncc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(C2=NCCO2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/2C42H35N3.C37H33N3.C35H27NO.C33H23NO/c1-41(2)42(3,4)45(33-16-6-5-7-17-33)40(44-41)32-25-31(26-43-27-32)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)30-23-22-28-14-8-9-15-29(28)24-30;1-41(2)42(3,4)45(40(44-41)29-15-6-5-7-16-29)33-25-32(26-43-27-33)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)31-23-22-28-14-8-9-17-30(28)24-31;1-24-39-36(2,3)37(4,5)40(24)29-21-28(22-38-23-29)35-32-16-10-8-14-30(32)34(31-15-9-11-17-33(31)35)27-19-18-25-12-6-7-13-26(25)20-27;1-35(2)22-37-34(36-35)25-14-9-13-24(21-25)32-28-16-5-7-18-30(28)33(31-19-8-6-17-29(31)32)27-20-10-12-23-11-3-4-15-26(23)27;1-2-13-25-22(9-1)10-8-18-26(25)32-29-16-5-3-14-27(29)31(28-15-4-6-17-30(28)32)23-11-7-12-24(21-23)33-34-19-20-35-33/h2*5-27H,1-4H3;6-23H,1-5H3;3-21H,22H2,1-2H3;1-18,21H,19-20H2
InChIKeyGGNUHPOXHUGGDT-UHFFFAOYSA-N
MW2610.38 g/mol
LogP48.36
Rot. Bonds17

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

4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine (PubChem CID 158249541) has the molecular formula C189H153N11O2 and a molecular weight of 2610.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine
PubChem CID158249541
Molecular FormulaC189H153N11O2
Molecular Weight2610.38 g/mol
Exact Mass2608.22
IUPAC Name4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine
SMILESCC1(C)COC(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)=N1.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cncc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(C2=NCCO2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/2C42H35N3.C37H33N3.C35H27NO.C33H23NO/c1-41(2)42(3,4)45(33-16-6-5-7-17-33)40(44-41)32-25-31(26-43-27-32)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)30-23-22-28-14-8-9-15-29(28)24-30;1-41(2)42(3,4)45(40(44-41)29-15-6-5-7-16-29)33-25-32(26-43-27-33)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)31-23-22-28-14-8-9-17-30(28)24-31;1-24-39-36(2,3)37(4,5)40(24)29-21-28(22-38-23-29)35-32-16-10-8-14-30(32)34(31-15-9-11-17-33(31)35)27-19-18-25-12-6-7-13-26(25)20-27;1-35(2)22-37-34(36-35)25-14-9-13-24(21-25)32-28-16-5-7-18-30(28)33(31-19-8-6-17-29(31)32)27-20-10-12-23-11-3-4-15-26(23)27;1-2-13-25-22(9-1)10-8-18-26(25)32-29-16-5-3-14-27(29)31(28-15-4-6-17-30(28)32)23-11-7-12-24(21-23)33-34-19-20-35-33/h2*5-27H,1-4H3;6-23H,1-5H3;3-21H,22H2,1-2H3;1-18,21H,19-20H2
InChIKeyGGNUHPOXHUGGDT-UHFFFAOYSA-N
XLogP48.36
TPSA128.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002610.38
LogP ≤ 548.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Related Compounds

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
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
2-[5-[10-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249855
2-[6-[10-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249857
2-[5-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249897
2-[6-[7-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]triphenylen-2-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250233
2-[5-[7-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250250
2-[5-[7-[6-(4,5-Dihydro-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135250251
2-[5-[7-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-2-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250253
2-[5-[4-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]triphenylen-1-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250453
2-[5-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250457
2-[5-[7-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250476

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
The IUPAC name of 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine (CID 158249541) is 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine.
What is the SMILES notation for 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
The canonical SMILES for 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine is CC1(C)COC(c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)=N1.CC1(C)N=C(c2ccccc2)N(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)C1(C)C.CC1(C)N=C(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)N(c2ccccc2)C1(C)C.CC1=NC(C)(C)C(C)(C)N1c1cncc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(C2=NCCO2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
The InChIKey is GGNUHPOXHUGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H35N3.C37H33N3.C35H27NO.C33H23NO/c1-41(2)42(3,4)45(33-16-6-5-7-17-33)40(44-41)32-25-31(26-43-27-32)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)30-23-22-28-14-8-9-15-29(28)24-30;1-41(2)42(3,4)45(40(44-41)29-15-6-5-7-16-29)33-25-32(26-43-27-33)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)31-23-22-28-14-8-9-17-30(28)24-31;1-24-39-36(2,3)37(4,5)40(24)29-21-28(22-38-23-29)35-32-16-10-8-14-30(32)34(31-15-9-11-17-33(31)35)27-19-18-25-12-6-7-13-26(25)20-27;1-35(2)22-37-34(36-35)25-14-9-13-24(21-25)32-28-16-5-7-18-30(28)33(31-19-8-6-17-29(31)32)27-20-10-12-23-11-3-4-15-26(23)27;1-2-13-25-22(9-1)10-8-18-26(25)32-29-16-5-3-14-27(29)31(28-15-4-6-17-30(28)32)23-11-7-12-24(21-23)33-34-19-20-35-33/h2*5-27H,1-4H3;6-23H,1-5H3;3-21H,22H2,1-2H3;1-18,21H,19-20H2.
What are the key properties of 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine?
4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine has a molecular weight of 2610.38 g/mol, XLogP of 48.36, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5H-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-4,5-dihydro-1,3-oxazole;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine is sourced from PubChem (CID 158249541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).