bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)

C158H108 — CID 159085112

About bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)

bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene) (PubChem CID 159085112) has the molecular formula C158H108 and a molecular weight of 2006.60 g/mol. Its IUPAC name is bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene).

Molecular Properties

• Compound Name: bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)
• PubChem CID: 159085112
• Molecular Formula: C158H108
• Molecular Weight: 2006.60 g/mol
• Exact Mass: 2004.85
• IUPAC Name: bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)
• SMILES: C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1ccc(C=C(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C=C(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C58H36.2C21H18/c2*1-5-16-38(17-6-1)50(39-18-7-2-8-19-39)36-37-30-32-40(33-31-37)44-34-35-49-54-45(44)26-15-29-48(54)57-52(42-20-9-3-10-21-42)55-46-27-13-24-41-25-14-28-47(51(41)46)56(55)53(58(49)57)43-22-11-4-12-23-43;2*1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2*1-36H;2*2-16H,1H3
• InChIKey: KBIUTQYJGJFFKY-UHFFFAOYSA-N
• XLogP: 43.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2006.60
LogP ≤ 5	43.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)?

The IUPAC name of bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene) (CID 159085112) is bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene).

What is the SMILES notation for bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)?

The canonical SMILES for bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene) is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccc3c4c(-c5ccccc5)c5c6cccc7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.Cc1ccc(C=C(c2ccccc2)c2ccccc2)cc1.Cc1ccc(C=C(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)?

The InChIKey is KBIUTQYJGJFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H36.2C21H18/c2*1-5-16-38(17-6-1)50(39-18-7-2-8-19-39)36-37-30-32-40(33-31-37)44-34-35-49-54-45(44)26-15-29-48(54)57-52(42-20-9-3-10-21-42)55-46-27-13-24-41-25-14-28-47(51(41)46)56(55)53(58(49)57)43-22-11-4-12-23-43;2*1-17-12-14-18(15-13-17)16-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2*1-36H;2*2-16H,1H3.

What are the key properties of bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene)?

bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene) has a molecular weight of 2006.60 g/mol, XLogP of 43.31, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(2,2-diphenylethenyl)-4-methylbenzene);bis(8-[4-(2,2-diphenylethenyl)phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaene) is sourced from PubChem (CID 159085112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).