1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene

C146H100 — CID 90779931

About 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene

1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene (PubChem CID 90779931) has the molecular formula C146H100 and a molecular weight of 1854.41 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene.

Molecular Properties

• Compound Name: 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene
• PubChem CID: 90779931
• Molecular Formula: C146H100
• Molecular Weight: 1854.41 g/mol
• Exact Mass: 1852.78
• IUPAC Name: 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene
• SMILES: c1ccc(-c2c(C(=C(c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C146H100/c1-21-61-101(62-22-1)121-125(105-69-29-5-30-70-105)133(113-85-45-13-46-86-113)141(134(114-87-47-14-48-88-114)126(121)106-71-31-6-32-72-106)145(142-135(115-89-49-15-50-90-115)127(107-73-33-7-34-74-107)122(102-63-23-2-24-64-102)128(108-75-35-8-36-76-108)136(142)116-91-51-16-52-92-116)146(143-137(117-93-53-17-54-94-117)129(109-77-37-9-38-78-109)123(103-65-25-3-26-66-103)130(110-79-39-10-40-80-110)138(143)118-95-55-18-56-96-118)144-139(119-97-57-19-58-98-119)131(111-81-41-11-42-82-111)124(104-67-27-4-28-68-104)132(112-83-43-12-44-84-112)140(144)120-99-59-20-60-100-120/h1-100H
• InChIKey: GSXWSDXHVNYIEP-UHFFFAOYSA-N
• XLogP: 40.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 24
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1854.41
LogP ≤ 5	40.03
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 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene?

The IUPAC name of 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene (CID 90779931) is 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene.

What is the SMILES notation for 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene?

The canonical SMILES for 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene is c1ccc(-c2c(C(=C(c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.

What is the InChIKey of 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene?

The InChIKey is GSXWSDXHVNYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H100/c1-21-61-101(62-22-1)121-125(105-69-29-5-30-70-105)133(113-85-45-13-46-86-113)141(134(114-87-47-14-48-88-114)126(121)106-71-31-6-32-72-106)145(142-135(115-89-49-15-50-90-115)127(107-73-33-7-34-74-107)122(102-63-23-2-24-64-102)128(108-75-35-8-36-76-108)136(142)116-91-51-16-52-92-116)146(143-137(117-93-53-17-54-94-117)129(109-77-37-9-38-78-109)123(103-65-25-3-26-66-103)130(110-79-39-10-40-80-110)138(143)118-95-55-18-56-96-118)144-139(119-97-57-19-58-98-119)131(111-81-41-11-42-82-111)124(104-67-27-4-28-68-104)132(112-83-43-12-44-84-112)140(144)120-99-59-20-60-100-120/h1-100H.

What are the key properties of 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene?

1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene has a molecular weight of 1854.41 g/mol, XLogP of 40.03, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5-pentakis-phenyl-6-[1,2,2-tris(2,3,4,5,6-pentakis-phenylphenyl)ethenyl]benzene is sourced from PubChem (CID 90779931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).