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

C196H137N5OS4 — CID 157311784

IUPAC2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.Cc1nc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)sc1-c1ccc(C(C)(C)C)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)s4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)s4)c4ccccc34)cccc2c1
InChIInChI=1S/C43H27NO.2C43H27NS.C34H29NS.C33H27NS/c3*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;1-22-32(24-16-18-25(19-17-24)34(2,3)4)36-33(35-22)31-21-20-30(28-13-7-8-14-29(28)31)27-15-9-11-23-10-5-6-12-26(23)27;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/h3*1-27H;5-21H,1-4H3;4-21H,1-3H3
InChIKeyBDCWHYRTSYIJAE-UHFFFAOYSA-N
MW2706.55 g/mol
LogP56.61
Rot. Bonds18

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

2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole (PubChem CID 157311784) has the molecular formula C196H137N5OS4 and a molecular weight of 2706.55 g/mol. Its IUPAC name is 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole
PubChem CID157311784
Molecular FormulaC196H137N5OS4
Molecular Weight2706.55 g/mol
Exact Mass2703.97
IUPAC Name2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole
SMILESCC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.Cc1nc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)sc1-c1ccc(C(C)(C)C)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)s4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)s4)c4ccccc34)cccc2c1
InChIInChI=1S/C43H27NO.2C43H27NS.C34H29NS.C33H27NS/c3*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;1-22-32(24-16-18-25(19-17-24)34(2,3)4)36-33(35-22)31-21-20-30(28-13-7-8-14-29(28)31)27-15-9-11-23-10-5-6-12-26(23)27;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/h3*1-27H;5-21H,1-4H3;4-21H,1-3H3
InChIKeyBDCWHYRTSYIJAE-UHFFFAOYSA-N
XLogP56.61
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002706.55
LogP ≤ 556.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158811429
5-Phenyl-2-[6-(5-phenyl-1,3-thiazol-2-yl)pyren-1-yl]-1,3-oxazole
CID 57610711
5-[4-[2-(3-Phenylphenyl)-10-[2-(1,3-thiazol-5-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole
CID 121297822
2-[4-[2-(3,5-Diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
CID 157059294
2-[6-[7-[6-(1,3-Oxazol-2-yl)-2-pyridinyl]-10,11-diphenyltriphenylen-2-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[4-[4-[6-(1,3-oxazol-2-yl)-2-pyridinyl]naphthalen-1-yl]naphthalen-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-oxazol-2-yl)-2-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[10-phenyl-7-[6-(1,3-thiazol-2-yl)-2-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-1,3-thiazole;2-[6-[7-[6-(1,3-thiazol-2-yl)-2-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-1,3-thiazole
CID 157080073
2-[2-[10-[4-(1,3-Oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole
CID 157119935
Ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,3-benzothiazole-2-thione;2-methyl-1,3-benzoxazole;3-methyl-1,3-benzoxazole-2-thione;2-methylisoindole-1,3-dithione;1-methylnaphthalene;2-methylnaphthalene;2-methyl-3-sulfanylideneisoindol-1-one
CID 157138781
2-[3-[3,5-Bis[3-(1,3-thiazol-2-yl)phenyl]phenyl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-oxazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-oxazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]chrysen-6-yl]phenyl]-1,3-thiazole;2-[3-[12-[3-(1,3-thiazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-thiazole
CID 157157789
2,4-Diphenyl-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 157318067
2-[6-[2,3-Diphenyl-4-[6-(1,3-thiazol-2-yl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]-1,3-thiazole;2-[6-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[4-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-2,3-diphenylnaphthalen-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[4-[6-(1,3-oxazol-2-yl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[4-[6-(1,3-thiazol-2-yl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]-1,3-thiazole
CID 157399573
2-[5-[2-Naphthalen-2-yl-10-[6-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[10-[6-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[10-[6-(1,3-oxazol-2-yl)-3-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[2-phenyl-10-[6-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[10-[6-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
CID 157408380
2-[3-[12,12-Dimethyl-15-[3-(1,3-oxazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[12,12-dimethyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole;2-[3-[15-[3-(1,3-oxazol-2-yl)phenyl]-12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-oxazole;2-[3-[4-[4-[3-(1,3-oxazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-1,3-oxazole
CID 157483575

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole?
The IUPAC name of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole (CID 157311784) is 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole?
The canonical SMILES for 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole is CC(C)(C)c1ccc(-c2ncc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)s2)cc1.Cc1nc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)sc1-c1ccc(C(C)(C)C)cc1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)o4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)s4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc(-c4cnc(-c5ccc(-c6cccc7ccccc67)c6ccccc56)s4)c4ccccc34)cccc2c1.
What is the InChIKey of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole?
The InChIKey is BDCWHYRTSYIJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO.2C43H27NS.C34H29NS.C33H27NS/c3*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;1-22-32(24-16-18-25(19-17-24)34(2,3)4)36-33(35-22)31-21-20-30(28-13-7-8-14-29(28)31)27-15-9-11-23-10-5-6-12-26(23)27;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/h3*1-27H;5-21H,1-4H3;4-21H,1-3H3.
What are the key properties of 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole?
2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole has a molecular weight of 2706.55 g/mol, XLogP of 56.61, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-oxazole;bis(2,5-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole);5-(4-tert-butylphenyl)-4-methyl-2-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole;2-(4-tert-butylphenyl)-5-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3-thiazole is sourced from PubChem (CID 157311784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).