bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)

C189H254O7 — CID 158344042

About bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)

bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate) (PubChem CID 158344042) has the molecular formula C189H254O7 and a molecular weight of 2638.10 g/mol. Its IUPAC name is bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate).

Molecular Properties

• Compound Name: bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
• PubChem CID: 158344042
• Molecular Formula: C189H254O7
• Molecular Weight: 2638.10 g/mol
• Exact Mass: 2635.95
• IUPAC Name: bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1
• InChI: InChI=1S/C23H20O.2C22H20.2C17H16O2.2C17H16O.C16H16.19C2H6/c1-17-3-7-19(8-4-17)9-16-23(24)22-14-12-21(13-15-22)20-10-5-18(2)6-11-20;2*1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;2*1-13-3-7-15(8-4-13)9-12-17(18)19-16-10-5-14(2)6-11-16;2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;19*1-2/h3-16H,1-2H3;2*3-16H,1-2H3;2*3-12H,1-2H3;2*3-12H,1-2H3;3-12H,1-2H3;19*1-2H3/b16-9+;2*10-9+;4*12-9+;12-11+
• InChIKey: GRMZJVAVCZSLRY-UUATWCGWSA-N
• XLogP: 58.36
• TPSA: 103.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2638.10
LogP ≤ 5	58.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)?

The IUPAC name of bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate) (CID 158344042) is bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate).

What is the SMILES notation for bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)?

The canonical SMILES for bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)Oc2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(C)cc2)cc1.

What is the InChIKey of bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)?

The InChIKey is GRMZJVAVCZSLRY-UUATWCGWSA-N. The full InChI is InChI=1S/C23H20O.2C22H20.2C17H16O2.2C17H16O.C16H16.19C2H6/c1-17-3-7-19(8-4-17)9-16-23(24)22-14-12-21(13-15-22)20-10-5-18(2)6-11-20;2*1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;2*1-13-3-7-15(8-4-13)9-12-17(18)19-16-10-5-14(2)6-11-16;2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;19*1-2/h3-16H,1-2H3;2*3-16H,1-2H3;2*3-12H,1-2H3;2*3-12H,1-2H3;3-12H,1-2H3;19*1-2H3/b16-9+;2*10-9+;4*12-9+;12-11+;;;;;;;;;;;;;;;;;;;.

What are the key properties of bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)?

bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate) has a molecular weight of 2638.10 g/mol, XLogP of 58.36, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate) is sourced from PubChem (CID 158344042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).