1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole

C144H152FNO2 — CID 177497983

About 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole

1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole (PubChem CID 177497983) has the molecular formula C144H152FNO2 and a molecular weight of 1947.80 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole
• PubChem CID: 177497983
• Molecular Formula: C144H152FNO2
• Molecular Weight: 1947.80 g/mol
• Exact Mass: 1946.18
• IUPAC Name: 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole
• SMILES: Fc1ccc(-n2c(-c3ccc(OCCCCCCC(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)cc3)ccc2-c2ccc(OCCCCCCC(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C144H152FNO2/c145-137-91-93-138(94-92-137)146-141(129-75-95-139(96-76-129)147-103-25-3-1-23-101-143(131-79-63-123(64-80-131)117-51-39-111(40-52-117)105-27-11-5-12-28-105,132-81-65-124(66-82-132)118-53-41-112(42-54-118)106-29-13-6-14-30-106)133-83-67-125(68-84-133)119-55-43-113(44-56-119)107-31-15-7-16-32-107)99-100-142(146)130-77-97-140(98-78-130)148-104-26-4-2-24-102-144(134-85-69-126(70-86-134)120-57-45-114(46-58-120)108-33-17-8-18-34-108,135-87-71-127(72-88-135)121-59-47-115(48-60-121)109-35-19-9-20-36-109)136-89-73-128(74-90-136)122-61-49-116(50-62-122)110-37-21-10-22-38-110/h39-100,105-110H,1-38,101-104H2
• InChIKey: NVLIPVRUVKMVPP-UHFFFAOYSA-N
• XLogP: 40.97
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 37
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1947.80
LogP ≤ 5	40.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole?

The IUPAC name of 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole (CID 177497983) is 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole.

What is the SMILES notation for 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole?

The canonical SMILES for 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole is Fc1ccc(-n2c(-c3ccc(OCCCCCCC(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)cc3)ccc2-c2ccc(OCCCCCCC(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)cc2)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole?

The InChIKey is NVLIPVRUVKMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H152FNO2/c145-137-91-93-138(94-92-137)146-141(129-75-95-139(96-76-129)147-103-25-3-1-23-101-143(131-79-63-123(64-80-131)117-51-39-111(40-52-117)105-27-11-5-12-28-105,132-81-65-124(66-82-132)118-53-41-112(42-54-118)106-29-13-6-14-30-106)133-83-67-125(68-84-133)119-55-43-113(44-56-119)107-31-15-7-16-32-107)99-100-142(146)130-77-97-140(98-78-130)148-104-26-4-2-24-102-144(134-85-69-126(70-86-134)120-57-45-114(46-58-120)108-33-17-8-18-34-108,135-87-71-127(72-88-135)121-59-47-115(48-60-121)109-35-19-9-20-36-109)136-89-73-128(74-90-136)122-61-49-116(50-62-122)110-37-21-10-22-38-110/h39-100,105-110H,1-38,101-104H2.

What are the key properties of 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole?

1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole has a molecular weight of 1947.80 g/mol, XLogP of 40.97, 37 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-2,5-bis[4-[7,7,7-tris[4-(4-cyclohexylphenyl)phenyl]heptoxy]phenyl]pyrrole is sourced from PubChem (CID 177497983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).