1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline

C132H142N2 — CID 161089163

About 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline

1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline (PubChem CID 161089163) has the molecular formula C132H142N2 and a molecular weight of 1756.60 g/mol. Its IUPAC name is 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
• PubChem CID: 161089163
• Molecular Formula: C132H142N2
• Molecular Weight: 1756.60 g/mol
• Exact Mass: 1755.12
• IUPAC Name: 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
• SMILES: CCCCCCc1cc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(CCC)cc2)cc1.CCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccccc4)c(C)c3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccccc3)c(C)c2)cc1C
• InChI: InChI=1S/C84H84N2.C48H58/c1-9-11-13-17-27-71-57-84(82-52-48-78(56-64(82)8)86(74-43-39-68(40-44-74)66-35-31-60(4)32-36-66)76-46-50-80(62(6)54-76)70-25-21-16-22-26-70)72(28-18-14-12-10-2)58-83(71)81-51-47-77(55-63(81)7)85(73-41-37-67(38-42-73)65-33-29-59(3)30-34-65)75-45-49-79(61(5)53-75)69-23-19-15-20-24-69;1-5-9-11-13-17-45-35-48(44-33-29-42(30-34-44)40-25-21-38(16-8-4)22-26-40)46(18-14-12-10-6-2)36-47(45)43-31-27-41(28-32-43)39-23-19-37(15-7-3)20-24-39/h15-16,19-26,29-58H,9-14,17-18,27-28H2,1-8H3;19-36H,5-18H2,1-4H3
• InChIKey: UGYALNLKJZXQLE-UHFFFAOYSA-N
• XLogP: 39.23
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 40
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1756.60
LogP ≤ 5	39.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline?

The IUPAC name of 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline (CID 161089163) is 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline.

What is the SMILES notation for 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline?

The canonical SMILES for 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline is CCCCCCc1cc(-c2ccc(-c3ccc(CCC)cc3)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(CCC)cc2)cc1.CCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccccc4)c(C)c3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccccc3)c(C)c2)cc1C.

What is the InChIKey of 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline?

The InChIKey is UGYALNLKJZXQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H84N2.C48H58/c1-9-11-13-17-27-71-57-84(82-52-48-78(56-64(82)8)86(74-43-39-68(40-44-74)66-35-31-60(4)32-36-66)76-46-50-80(62(6)54-76)70-25-21-16-22-26-70)72(28-18-14-12-10-2)58-83(71)81-51-47-77(55-63(81)7)85(73-41-37-67(38-42-73)65-33-29-59(3)30-34-65)75-45-49-79(61(5)53-75)69-23-19-15-20-24-69;1-5-9-11-13-17-45-35-48(44-33-29-42(30-34-44)40-25-21-38(16-8-4)22-26-40)46(18-14-12-10-6-2)36-47(45)43-31-27-41(28-32-43)39-23-19-37(15-7-3)20-24-39/h15-16,19-26,29-58H,9-14,17-18,27-28H2,1-8H3;19-36H,5-18H2,1-4H3.

What are the key properties of 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline?

1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline has a molecular weight of 1756.60 g/mol, XLogP of 39.23, 40 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 161089163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).