1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

C133H111N9O3 — CID 160948340

About 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 160948340) has the molecular formula C133H111N9O3 and a molecular weight of 1883.41 g/mol. Its IUPAC name is 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
• PubChem CID: 160948340
• Molecular Formula: C133H111N9O3
• Molecular Weight: 1883.41 g/mol
• Exact Mass: 1881.88
• IUPAC Name: 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C47H33N3O.C45H43N3O.C41H35N3O/c1-3-14-37(15-4-1)49(38-16-5-2-6-17-38)41-30-32-42(33-31-41)50(40-28-24-36(25-29-40)47-48-45-20-9-10-21-46(45)51-47)39-26-22-35(23-27-39)44-19-11-13-34-12-7-8-18-43(34)44;1-44(2,3)33-18-24-37(25-19-33)48(38-26-20-34(21-27-38)45(4,5)6)40-30-28-39(29-31-40)47(35-12-8-7-9-13-35)36-22-16-32(17-23-36)43-46-41-14-10-11-15-42(41)49-43;1-41(2,3)31-20-24-35(25-21-31)44(33-14-8-5-9-15-33)37-28-26-36(27-29-37)43(32-12-6-4-7-13-32)34-22-18-30(19-23-34)40-42-38-16-10-11-17-39(38)45-40/h1-33H;7-31H,1-6H3;4-29H,1-3H3
• InChIKey: SVKLSVJROLQJTB-UHFFFAOYSA-N
• XLogP: 38.02
• TPSA: 97.53 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.41
LogP ≤ 5	38.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?

The IUPAC name of 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine (CID 160948340) is 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine.

What is the SMILES notation for 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?

The canonical SMILES for 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine is CC(C)(C)c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.

What is the InChIKey of 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?

The InChIKey is SVKLSVJROLQJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O.C45H43N3O.C41H35N3O/c1-3-14-37(15-4-1)49(38-16-5-2-6-17-38)41-30-32-42(33-31-41)50(40-28-24-36(25-29-40)47-48-45-20-9-10-21-46(45)51-47)39-26-22-35(23-27-39)44-19-11-13-34-12-7-8-18-43(34)44;1-44(2,3)33-18-24-37(25-19-33)48(38-26-20-34(21-27-38)45(4,5)6)40-30-28-39(29-31-40)47(35-12-8-7-9-13-35)36-22-16-32(17-23-36)43-46-41-14-10-11-15-42(41)49-43;1-41(2,3)31-20-24-35(25-21-31)44(33-14-8-5-9-15-33)37-28-26-36(27-29-37)43(32-12-6-4-7-13-32)34-22-18-30(19-23-34)40-42-38-16-10-11-17-39(38)45-40/h1-33H;7-31H,1-6H3;4-29H,1-3H3.

What are the key properties of 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine?

1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 1883.41 g/mol, XLogP of 38.02, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N,4-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,4-diamine;1-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-tert-butylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-N-(4-naphthalen-1-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 160948340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).