1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran

C100H62O2 — CID 139396273

About 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran

1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 139396273) has the molecular formula C100H62O2 and a molecular weight of 1295.59 g/mol. Its IUPAC name is 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

• Compound Name: 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran
• PubChem CID: 139396273
• Molecular Formula: C100H62O2
• Molecular Weight: 1295.59 g/mol
• Exact Mass: 1294.47
• IUPAC Name: 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran
• SMILES: c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccc(-c8cccc(-c9cccc(-c%10cccc%11oc%12ccc(-c%13c%14ccccc%14c(-c%14ccccc%14)c%14ccccc%13%14)cc%12c%10%11)c9-c9ccccc9)c8)cc67)cc5c4c3)c2)cc1
• InChI: InChI=1S/C100H62O2/c1-6-25-63(26-7-1)69-47-52-75(64-27-8-2-9-28-64)86(58-69)72-49-54-91-87(60-72)88-61-73(50-55-92(88)101-91)99-82-42-21-18-39-79(82)97(67-33-14-5-15-34-67)85-53-48-70(59-89(85)99)68-35-22-36-71(57-68)76-43-23-44-83(95(76)65-29-10-3-11-30-65)84-45-24-46-94-100(84)90-62-74(51-56-93(90)102-94)98-80-40-19-16-37-77(80)96(66-31-12-4-13-32-66)78-38-17-20-41-81(78)98/h1-62H
• InChIKey: XGCSCILHMGFUAT-UHFFFAOYSA-N
• XLogP: 28.44
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.59
LogP ≤ 5	28.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran?

The IUPAC name of 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran (CID 139396273) is 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran.

What is the SMILES notation for 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran?

The canonical SMILES for 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccc(-c8cccc(-c9cccc(-c%10cccc%11oc%12ccc(-c%13c%14ccccc%14c(-c%14ccccc%14)c%14ccccc%13%14)cc%12c%10%11)c9-c9ccccc9)c8)cc67)cc5c4c3)c2)cc1.

What is the InChIKey of 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran?

The InChIKey is XGCSCILHMGFUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62O2/c1-6-25-63(26-7-1)69-47-52-75(64-27-8-2-9-28-64)86(58-69)72-49-54-91-87(60-72)88-61-73(50-55-92(88)101-91)99-82-42-21-18-39-79(82)97(67-33-14-5-15-34-67)85-53-48-70(59-89(85)99)68-35-22-36-71(57-68)76-43-23-44-83(95(76)65-29-10-3-11-30-65)84-45-24-46-94-100(84)90-62-74(51-56-93(90)102-94)98-80-40-19-16-37-77(80)96(66-31-12-4-13-32-66)78-38-17-20-41-81(78)98/h1-62H.

What are the key properties of 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran?

1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 1295.59 g/mol, XLogP of 28.44, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[9-[8-(2,5-diphenylphenyl)dibenzofuran-2-yl]-10-phenylanthracen-2-yl]phenyl]-2-phenylphenyl]-8-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 139396273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).