bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene

C221H159N5O4S2 — CID 158250924

IUPACbis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1
InChIInChI=1S/2C43H27NO.C36H24S.2C33H27NO.C33H27NS/c2*1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)31-21-34-32(35-31)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h2*1-27H;1-24H;3*4-21H,1-3H3
InChIKeyGGRZXBNMTDOADS-UHFFFAOYSA-N
MW3012.87 g/mol
LogP62.94
Rot. Bonds21

About bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene

bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene (PubChem CID 158250924) has the molecular formula C221H159N5O4S2 and a molecular weight of 3012.87 g/mol. Its IUPAC name is bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene.

Molecular Properties

Compound Namebis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
PubChem CID158250924
Molecular FormulaC221H159N5O4S2
Molecular Weight3012.87 g/mol
Exact Mass3010.18
IUPAC Namebis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1
InChIInChI=1S/2C43H27NO.C36H24S.2C33H27NO.C33H27NS/c2*1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)31-21-34-32(35-31)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h2*1-27H;1-24H;3*4-21H,1-3H3
InChIKeyGGRZXBNMTDOADS-UHFFFAOYSA-N
XLogP62.94
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003012.87
LogP ≤ 562.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The IUPAC name of bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene (CID 158250924) is bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene.
What is the SMILES notation for bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The canonical SMILES for bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene is CC(C)(C)c1ccc(-c2cnc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)o2)cc1.CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)c5ccccc45)s3)cc2)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.
What is the InChIKey of bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
The InChIKey is GGRZXBNMTDOADS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H27NO.C36H24S.2C33H27NO.C33H27NS/c2*1-3-15-30-28(11-1)13-9-21-32(30)38-23-25-40(36-19-7-5-17-34(36)38)42-27-44-43(45-42)41-26-24-39(35-18-6-8-20-37(35)41)33-22-10-14-29-12-2-4-16-31(29)33;1-2-9-25(10-3-1)26-17-19-28(20-18-26)35-23-24-36(37-35)34-22-21-33(31-14-6-7-15-32(31)34)30-16-8-12-27-11-4-5-13-29(27)30;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)31-21-34-32(35-31)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26;1-33(2,3)24-17-15-23(16-18-24)32-34-21-31(35-32)30-20-19-29(27-12-6-7-13-28(27)30)26-14-8-10-22-9-4-5-11-25(22)26/h2*1-27H;1-24H;3*4-21H,1-3H3.
What are the key properties of bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene?
bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene has a molecular weight of 3012.87 g/mol, XLogP of 62.94, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole);2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;5-(4-tert-butylphenyl)-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-naphthalen-1-ylnaphthalen-1-yl)-5-(4-phenylphenyl)thiophene is sourced from PubChem (CID 158250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).