2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine

C121H82F3N9O5 — CID 167107587

About 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine

2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine (PubChem CID 167107587) has the molecular formula C121H82F3N9O5 and a molecular weight of 1799.04 g/mol. Its IUPAC name is 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 167107587
• Molecular Formula: C121H82F3N9O5
• Molecular Weight: 1799.04 g/mol
• Exact Mass: 1797.64
• IUPAC Name: 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
• SMILES: Cc1c(C)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(OCCCOc4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)cc3c3cc(OCCCOc4ccc5c(c4)oc4c(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)nc45)ccc32)c(-n2c3ccccc3c3ccccc32)c1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C121H82F3N9O5/c1-73-74(2)117(131-104-52-23-11-40-89(104)90-41-12-24-53-105(90)131)119(118(115(73)75-30-27-31-76(66-75)121(122,123)124)132-106-54-25-13-42-91(106)92-43-14-26-55-107(92)132)133-108-60-57-77(134-62-28-64-136-79-56-59-93-111(69-79)138-120-110(127-96-44-15-3-32-81(96)82-33-4-16-45-97(82)127)72-114(126-116(93)120)130-102-50-21-9-38-87(102)88-39-10-22-51-103(88)130)67-94(108)95-68-78(58-61-109(95)133)135-63-29-65-137-80-70-112(128-98-46-17-5-34-83(98)84-35-6-18-47-99(84)128)125-113(71-80)129-100-48-19-7-36-85(100)86-37-8-20-49-101(86)129/h3-27,30-61,66-72H,28-29,62-65H2,1-2H3
• InChIKey: ZLWLSUYSROUJHB-UHFFFAOYSA-N
• XLogP: 31.05
• TPSA: 110.35 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.04
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine (CID 167107587) is 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine is Cc1c(C)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccc(OCCCOc4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)cc3c3cc(OCCCOc4ccc5c(c4)oc4c(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)nc45)ccc32)c(-n2c3ccccc3c3ccccc32)c1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is ZLWLSUYSROUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H82F3N9O5/c1-73-74(2)117(131-104-52-23-11-40-89(104)90-41-12-24-53-105(90)131)119(118(115(73)75-30-27-31-76(66-75)121(122,123)124)132-106-54-25-13-42-91(106)92-43-14-26-55-107(92)132)133-108-60-57-77(134-62-28-64-136-79-56-59-93-111(69-79)138-120-110(127-96-44-15-3-32-81(96)82-33-4-16-45-97(82)127)72-114(126-116(93)120)130-102-50-21-9-38-87(102)88-39-10-22-51-103(88)130)67-94(108)95-68-78(58-61-109(95)133)135-63-29-65-137-80-70-112(128-98-46-17-5-34-83(98)84-35-6-18-47-99(84)128)125-113(71-80)129-100-48-19-7-36-85(100)86-37-8-20-49-101(86)129/h3-27,30-61,66-72H,28-29,62-65H2,1-2H3.

What are the key properties of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine?

2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1799.04 g/mol, XLogP of 31.05, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 167107587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).