2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile

C108H58F3N23 — CID 155377601

IUPAC2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncc(-c6cnc(-c7ccc8c9ccc(-c%10ncccn%10)cc9n(-c9cc(-c%10cccc(C#N)c%10)c(C(F)(F)F)cc9-n9c%10cc(-c%11ncccn%11)ccc%10c%10ccc(-c%11ncccn%11)cc%109)c8c7)nc6)cn5)ccc43)cc2C#N)c1
InChIInChI=1S/C108H58F3N23/c109-108(110,111)87-54-99(134-94-48-71(104-123-37-7-38-124-104)14-22-79(94)80-23-15-72(49-95(80)134)105-125-39-8-40-126-105)98(53-82(87)65-12-2-10-63(42-65)56-113)133-92-47-70(103-121-35-6-36-122-103)13-21-77(92)78-24-16-73(50-93(78)133)107-129-60-76(61-130-107)75-58-127-106(128-59-75)69-20-28-89-86(46-69)83-43-66(100-115-29-3-30-116-100)17-25-88(83)131(89)96-51-74(57-114)81(64-11-1-9-62(41-64)55-112)52-97(96)132-90-26-18-67(101-117-31-4-32-118-101)44-84(90)85-45-68(19-27-91(85)132)102-119-33-5-34-120-102/h1-54,58-61H
InChIKeyBZNUOKMNLKINAO-UHFFFAOYSA-N
MW1734.81 g/mol
LogP23.37
Rot. Bonds15

About 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile

2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 155377601) has the molecular formula C108H58F3N23 and a molecular weight of 1734.81 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
PubChem CID155377601
Molecular FormulaC108H58F3N23
Molecular Weight1734.81 g/mol
Exact Mass1733.52
IUPAC Name2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncc(-c6cnc(-c7ccc8c9ccc(-c%10ncccn%10)cc9n(-c9cc(-c%10cccc(C#N)c%10)c(C(F)(F)F)cc9-n9c%10cc(-c%11ncccn%11)ccc%10c%10ccc(-c%11ncccn%11)cc%109)c8c7)nc6)cn5)ccc43)cc2C#N)c1
InChIInChI=1S/C108H58F3N23/c109-108(110,111)87-54-99(134-94-48-71(104-123-37-7-38-124-104)14-22-79(94)80-23-15-72(49-95(80)134)105-125-39-8-40-126-105)98(53-82(87)65-12-2-10-63(42-65)56-113)133-92-47-70(103-121-35-6-36-122-103)13-21-77(92)78-24-16-73(50-93(78)133)107-129-60-76(61-130-107)75-58-127-106(128-59-75)69-20-28-89-86(46-69)83-43-66(100-115-29-3-30-116-100)17-25-88(83)131(89)96-51-74(57-114)81(64-11-1-9-62(41-64)55-112)52-97(96)132-90-26-18-67(101-117-31-4-32-118-101)44-84(90)85-45-68(19-27-91(85)132)102-119-33-5-34-120-102/h1-54,58-61H
InChIKeyBZNUOKMNLKINAO-UHFFFAOYSA-N
XLogP23.37
TPSA297.33 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.81
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[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-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile (CID 155377601) is 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile is N#Cc1cccc(-c2cc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncc(-c6cnc(-c7ccc8c9ccc(-c%10ncccn%10)cc9n(-c9cc(-c%10cccc(C#N)c%10)c(C(F)(F)F)cc9-n9c%10cc(-c%11ncccn%11)ccc%10c%10ccc(-c%11ncccn%11)cc%109)c8c7)nc6)cn5)ccc43)cc2C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is BZNUOKMNLKINAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H58F3N23/c109-108(110,111)87-54-99(134-94-48-71(104-123-37-7-38-124-104)14-22-79(94)80-23-15-72(49-95(80)134)105-125-39-8-40-126-105)98(53-82(87)65-12-2-10-63(42-65)56-113)133-92-47-70(103-121-35-6-36-122-103)13-21-77(92)78-24-16-73(50-93(78)133)107-129-60-76(61-130-107)75-58-127-106(128-59-75)69-20-28-89-86(46-69)83-43-66(100-115-29-3-30-116-100)17-25-88(83)131(89)96-51-74(57-114)81(64-11-1-9-62(41-64)55-112)52-97(96)132-90-26-18-67(101-117-31-4-32-118-101)44-84(90)85-45-68(19-27-91(85)132)102-119-33-5-34-120-102/h1-54,58-61H.
What are the key properties of 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile?
2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 1734.81 g/mol, XLogP of 23.37, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-5-[3-[5-[2-[9-[5-(3-cyanophenyl)-2-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-7-pyrimidin-2-ylcarbazol-2-yl]pyrimidin-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 155377601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).