2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole

C176H114N8O2S2 — CID 159030531

IUPAC2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
SMILESCc1cncc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(-c6cncc(C)c6)c5)ccc3-4)c2)c1.c1ccc(-c2ccc3c(-c4ccc(-c5ncco5)cc4)c4ccccc4c(-c4ccc(-c5ncco5)cc4)c3c2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)c1cc(-c3ccc(-c4nccs4)cc3)ccc1c1ccc(-c3ccc(-c4nccs4)cc3)cc21
InChIInChI=1S/C53H34N2.C49H34N2.C38H24N2O2.C36H22N2S2/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-31-21-39(29-50-27-31)35-11-7-9-33(23-35)37-17-19-43-44-20-18-38(34-10-8-12-36(24-34)40-22-32(2)28-51-30-40)26-48(44)49(47(43)25-37)45-15-5-3-13-41(45)42-14-4-6-16-46(42)49;1-2-6-25(7-3-1)30-18-19-33-34(24-30)36(27-12-16-29(17-13-27)38-40-21-23-42-38)32-9-5-4-8-31(32)35(33)26-10-14-28(15-11-26)37-39-20-22-41-37;1-2-4-30-29(3-1)33-21-27(23-5-9-25(10-6-23)35-37-17-19-39-35)13-15-31(33)32-16-14-28(22-34(30)32)24-7-11-26(12-8-24)36-38-18-20-40-36/h1-34H;3-30H,1-2H3;1-24H;1-22H
InChIKeyJUVDXGJSRDYWBU-UHFFFAOYSA-N
MW2437.04 g/mol
LogP47.44
Rot. Bonds18

About 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole (PubChem CID 159030531) has the molecular formula C176H114N8O2S2 and a molecular weight of 2437.04 g/mol. Its IUPAC name is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
PubChem CID159030531
Molecular FormulaC176H114N8O2S2
Molecular Weight2437.04 g/mol
Exact Mass2434.85
IUPAC Name2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
SMILESCc1cncc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(-c6cncc(C)c6)c5)ccc3-4)c2)c1.c1ccc(-c2ccc3c(-c4ccc(-c5ncco5)cc4)c4ccccc4c(-c4ccc(-c5ncco5)cc4)c3c2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)c1cc(-c3ccc(-c4nccs4)cc3)ccc1c1ccc(-c3ccc(-c4nccs4)cc3)cc21
InChIInChI=1S/C53H34N2.C49H34N2.C38H24N2O2.C36H22N2S2/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-31-21-39(29-50-27-31)35-11-7-9-33(23-35)37-17-19-43-44-20-18-38(34-10-8-12-36(24-34)40-22-32(2)28-51-30-40)26-48(44)49(47(43)25-37)45-15-5-3-13-41(45)42-14-4-6-16-46(42)49;1-2-6-25(7-3-1)30-18-19-33-34(24-30)36(27-12-16-29(17-13-27)38-40-21-23-42-38)32-9-5-4-8-31(32)35(33)26-10-14-28(15-11-26)37-39-20-22-41-37;1-2-4-30-29(3-1)33-21-27(23-5-9-25(10-6-23)35-37-17-19-39-35)13-15-31(33)32-16-14-28(22-34(30)32)24-7-11-26(12-8-24)36-38-18-20-40-36/h1-34H;3-30H,1-2H3;1-24H;1-22H
InChIKeyJUVDXGJSRDYWBU-UHFFFAOYSA-N
XLogP47.44
TPSA121.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.04
LogP ≤ 547.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole with MolForge

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Related Compounds

2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
CID 23590277
CID 23590277
CID 162097480
CID 162097480
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
2-[3-(10,10-dimethyl-14,21-dinaphthalen-2-yl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)phenyl]-1-phenylbenzimidazole
CID 58411952
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-methyl-1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole;1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-(9-phenyl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 157224662
2-[4-[7,7-dimethyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]fluoren-5-yl]phenyl]-1,3-thiazole;2-[4-[2,3-diphenyl-4-[4-(1,3-thiazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-1,3-thiazole;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-phenyl-9-[4-(1,3-thiazol-2-yl)phenyl]benzo[c]carbazol-5-yl]phenyl]-1,3-thiazole;2-[4-[9-phenyl-7-[4-(1,3-thiazol-2-yl)phenyl]carbazol-2-yl]phenyl]-1,3-thiazole
CID 158567155
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-[3-[3-phenyl-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 161305445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole (CID 159030531) is 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole is Cc1cncc(-c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(-c6cncc(C)c6)c5)ccc3-4)c2)c1.c1ccc(-c2ccc3c(-c4ccc(-c5ncco5)cc4)c4ccccc4c(-c4ccc(-c5ncco5)cc4)c3c2)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)c1cc(-c3ccc(-c4nccs4)cc3)ccc1c1ccc(-c3ccc(-c4nccs4)cc3)cc21.
What is the InChIKey of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
The InChIKey is JUVDXGJSRDYWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.C49H34N2.C38H24N2O2.C36H22N2S2/c1-2-16-44(17-3-1)55-50-21-11-10-20-49(50)54-53(55)38-26-22-37(23-27-38)41-30-31-47-48(34-41)52(43-29-25-36-13-5-7-15-40(36)33-43)46-19-9-8-18-45(46)51(47)42-28-24-35-12-4-6-14-39(35)32-42;1-31-21-39(29-50-27-31)35-11-7-9-33(23-35)37-17-19-43-44-20-18-38(34-10-8-12-36(24-34)40-22-32(2)28-51-30-40)26-48(44)49(47(43)25-37)45-15-5-3-13-41(45)42-14-4-6-16-46(42)49;1-2-6-25(7-3-1)30-18-19-33-34(24-30)36(27-12-16-29(17-13-27)38-40-21-23-42-38)32-9-5-4-8-31(32)35(33)26-10-14-28(15-11-26)37-39-20-22-41-37;1-2-4-30-29(3-1)33-21-27(23-5-9-25(10-6-23)35-37-17-19-39-35)13-15-31(33)32-16-14-28(22-34(30)32)24-7-11-26(12-8-24)36-38-18-20-40-36/h1-34H;3-30H,1-2H3;1-24H;1-22H.
What are the key properties of 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole?
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole has a molecular weight of 2437.04 g/mol, XLogP of 47.44, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-methyl-5-[3-[7'-[3-(5-methyl-3-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]pyridine;2-[4-[10-[4-(1,3-oxazol-2-yl)phenyl]-2-phenylanthracen-9-yl]phenyl]-1,3-oxazole;2-[4-[7-[4-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 159030531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).