N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole

C152H110N8O3S — CID 158680713

About N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole

N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 158680713) has the molecular formula C152H110N8O3S and a molecular weight of 2128.67 g/mol. Its IUPAC name is N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
• PubChem CID: 158680713
• Molecular Formula: C152H110N8O3S
• Molecular Weight: 2128.67 g/mol
• Exact Mass: 2126.84
• IUPAC Name: N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc2c1
• InChI: InChI=1S/C39H30N2O.C39H30N2S.C37H24N2O.C37H26N2O/c2*1-27-7-21-34(22-8-27)41(35-23-9-28(2)10-24-35)36-25-19-32(20-26-36)30-13-11-29(12-14-30)31-15-17-33(18-16-31)39-40-37-5-3-4-6-38(37)42-39;1-4-10-34-31(7-1)32-8-2-5-11-35(32)39(34)30-23-21-28(22-24-30)26-15-13-25(14-16-26)27-17-19-29(20-18-27)37-38-33-9-3-6-12-36(33)40-37;1-3-9-32(10-4-1)39(33-11-5-2-6-12-33)34-25-23-30(24-26-34)28-17-15-27(16-18-28)29-19-21-31(22-20-29)37-38-35-13-7-8-14-36(35)40-37/h2*3-26H,1-2H3;1-24H;1-26H
• InChIKey: IFBZJYVBNGMGBJ-UHFFFAOYSA-N
• XLogP: 42.52
• TPSA: 105.63 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.67
LogP ≤ 5	42.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole?

The IUPAC name of N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole (CID 158680713) is N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole.

What is the SMILES notation for N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole?

The canonical SMILES for N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc2oc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)nc2c1.

What is the InChIKey of N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole?

The InChIKey is IFBZJYVBNGMGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O.C39H30N2S.C37H24N2O.C37H26N2O/c2*1-27-7-21-34(22-8-27)41(35-23-9-28(2)10-24-35)36-25-19-32(20-26-36)30-13-11-29(12-14-30)31-15-17-33(18-16-31)39-40-37-5-3-4-6-38(37)42-39;1-4-10-34-31(7-1)32-8-2-5-11-35(32)39(34)30-23-21-28(22-24-30)26-15-13-25(14-16-26)27-17-19-29(20-18-27)37-38-33-9-3-6-12-36(33)40-37;1-3-9-32(10-4-1)39(33-11-5-2-6-12-33)34-25-23-30(24-26-34)28-17-15-27(16-18-28)29-19-21-31(22-20-29)37-38-35-13-7-8-14-36(35)40-37/h2*3-26H,1-2H3;1-24H;1-26H.

What are the key properties of N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole?

N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 2128.67 g/mol, XLogP of 42.52, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158680713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).