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

C110H56F6N24 — CID 155217984

IUPAC2-[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
SMILESN#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
InChIInChI=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
InChIKeyFWFWIUGFHZHBOG-UHFFFAOYSA-N
MW1827.81 g/mol
LogP24.26
Rot. Bonds15

About 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

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 (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 Name2-[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
PubChem CID155217984
Molecular FormulaC110H56F6N24
Molecular Weight1827.81 g/mol
Exact Mass1826.50
IUPAC Name2-[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
SMILESN#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
InChIInChI=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
InChIKeyFWFWIUGFHZHBOG-UHFFFAOYSA-N
XLogP24.26
TPSA321.12 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001827.81
LogP ≤ 524.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (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 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?
The canonical SMILES for 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 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 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?
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 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?
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 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 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 is sourced from PubChem (CID 155217984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).