FWFWIUGFHZHBOG-UHFFFAOYSA-N

C₁₁₀H₅₆F₆N₂₄ — CID 155217984

About FWFWIUGFHZHBOG-UHFFFAOYSA-N

FWFWIUGFHZHBOG-UHFFFAOYSA-N (PubChem CID 155217984) has the molecular formula C₁₁₀H₅₆F₆N₂₄ and a molecular weight of 1827.81 g/mol. Its IUPAC name is 2-[3-[5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

• Compound Name: FWFWIUGFHZHBOG-UHFFFAOYSA-N
• PubChem CID: 155217984
• Molecular Formula: C₁₁₀H₅₆F₆N₂₄
• Molecular Weight: 1827.81 g/mol
• Exact Mass: 1826.50
• IUPAC Name: 2-[3-[5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
• SMILES: N#Cc1cc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncc(-c6cc7c8ccc(-c9ncccn9)cc8n(-c8cc(-c9cc(C#N)cc(C(F)(F)F)c9)cc(-n9c%10cc(-c%11ncccn%11)ccc%10c%10ccc(-c%11ncccn%11)cc%109)c8C#N)c7cc6-c6ncccn6)cn5)ccc43)c2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C110H56F6N24/c111-109(112,113)75-38-61(55-117)36-70(40-75)72-49-96(137-89-18-11-63(101-121-22-1-23-122-101)42-81(89)82-43-64(12-19-90(82)137)102-123-24-2-25-124-102)87(57-119)97(50-72)138-91-20-13-65(103-125-26-3-27-126-103)44-83(91)84-45-66(14-21-92(84)138)107-135-59-74(60-136-107)80-53-85-79-17-10-69(106-131-32-6-33-132-106)48-95(79)140(100(85)54-86(80)108-133-34-7-35-134-108)99-52-73(71-37-62(56-118)39-76(41-71)110(114,115)116)51-98(88(99)58-120)139-93-46-67(104-127-28-4-29-128-104)8-15-77(93)78-16-9-68(47-94(78)139)105-129-30-5-31-130-105/h1-54,59-60H
• InChIKey: FWFWIUGFHZHBOG-UHFFFAOYSA-N
• XLogP: 24.26
• TPSA: 321.12 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1827.81
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of FWFWIUGFHZHBOG-UHFFFAOYSA-N?

The IUPAC name of FWFWIUGFHZHBOG-UHFFFAOYSA-N (CID 155217984) is 2-[3-[5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile.

What is the SMILES notation for FWFWIUGFHZHBOG-UHFFFAOYSA-N?

The canonical SMILES for FWFWIUGFHZHBOG-UHFFFAOYSA-N is N#Cc1cc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C#N)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncc(-c6cc7c8ccc(-c9ncccn9)cc8n(-c8cc(-c9cc(C#N)cc(C(F)(F)F)c9)cc(-n9c%10cc(-c%11ncccn%11)ccc%10c%10ccc(-c%11ncccn%11)cc%109)c8C#N)c7cc6-c6ncccn6)cn5)ccc43)c2)cc(C(F)(F)F)c1.

What is the InChIKey of FWFWIUGFHZHBOG-UHFFFAOYSA-N?

The InChIKey is FWFWIUGFHZHBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H56F6N24/c111-109(112,113)75-38-61(55-117)36-70(40-75)72-49-96(137-89-18-11-63(101-121-22-1-23-122-101)42-81(89)82-43-64(12-19-90(82)137)102-123-24-2-25-124-102)87(57-119)97(50-72)138-91-20-13-65(103-125-26-3-27-126-103)44-83(91)84-45-66(14-21-92(84)138)107-135-59-74(60-136-107)80-53-85-79-17-10-69(106-131-32-6-33-132-106)48-95(79)140(100(85)54-86(80)108-133-34-7-35-134-108)99-52-73(71-37-62(56-118)39-76(41-71)110(114,115)116)51-98(88(99)58-120)139-93-46-67(104-127-28-4-29-128-104)8-15-77(93)78-16-9-68(47-94(78)139)105-129-30-5-31-130-105/h1-54,59-60H.

What are the key properties of FWFWIUGFHZHBOG-UHFFFAOYSA-N?

FWFWIUGFHZHBOG-UHFFFAOYSA-N has a molecular weight of 1827.81 g/mol, XLogP of 24.26, 15 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for FWFWIUGFHZHBOG-UHFFFAOYSA-N is sourced from PubChem (CID 155217984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155217984 — identifiers, structure, computed properties (public domain)

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