N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine

C110H88N2 — CID 142720916

About N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine

N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine (PubChem CID 142720916) has the molecular formula C110H88N2 and a molecular weight of 1437.93 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
• PubChem CID: 142720916
• Molecular Formula: C110H88N2
• Molecular Weight: 1437.93 g/mol
• Exact Mass: 1436.69
• IUPAC Name: N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
• SMILES: Cc1ccc(C=C(c2ccccc2)c2ccc(-c3ccc(N(CCN(c4ccc(-c5ccc(C(=Cc6ccc(C)cc6)c6ccccc6)cc5)cc4)c4ccc(-c5ccc(C(=Cc6ccc(C)cc6)c6ccccc6)cc5)cc4)c4ccc(-c5ccc(C(=Cc6ccc(C)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C110H88N2/c1-79-25-33-83(34-26-79)75-107(95-17-9-5-10-18-95)99-49-41-87(42-50-99)91-57-65-103(66-58-91)111(104-67-59-92(60-68-104)88-43-51-100(52-44-88)108(96-19-11-6-12-20-96)76-84-35-27-80(2)28-36-84)73-74-112(105-69-61-93(62-70-105)89-45-53-101(54-46-89)109(97-21-13-7-14-22-97)77-85-37-29-81(3)30-38-85)106-71-63-94(64-72-106)90-47-55-102(56-48-90)110(98-23-15-8-16-24-98)78-86-39-31-82(4)32-40-86/h5-72,75-78H,73-74H2,1-4H3
• InChIKey: LPAHJWHMQOIPHI-UHFFFAOYSA-N
• XLogP: 28.92
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1437.93
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine?

The IUPAC name of N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine (CID 142720916) is N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine.

What is the SMILES notation for N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine?

The canonical SMILES for N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine is Cc1ccc(C=C(c2ccccc2)c2ccc(-c3ccc(N(CCN(c4ccc(-c5ccc(C(=Cc6ccc(C)cc6)c6ccccc6)cc5)cc4)c4ccc(-c5ccc(C(=Cc6ccc(C)cc6)c6ccccc6)cc5)cc4)c4ccc(-c5ccc(C(=Cc6ccc(C)cc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine?

The InChIKey is LPAHJWHMQOIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H88N2/c1-79-25-33-83(34-26-79)75-107(95-17-9-5-10-18-95)99-49-41-87(42-50-99)91-57-65-103(66-58-91)111(104-67-59-92(60-68-104)88-43-51-100(52-44-88)108(96-19-11-6-12-20-96)76-84-35-27-80(2)28-36-84)73-74-112(105-69-61-93(62-70-105)89-45-53-101(54-46-89)109(97-21-13-7-14-22-97)77-85-37-29-81(3)30-38-85)106-71-63-94(64-72-106)90-47-55-102(56-48-90)110(98-23-15-8-16-24-98)78-86-39-31-82(4)32-40-86/h5-72,75-78H,73-74H2,1-4H3.

What are the key properties of N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine?

N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine has a molecular weight of 1437.93 g/mol, XLogP of 28.92, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 142720916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).