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

C102H52F6N20 — CID 155217961

IUPAC3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-c2c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)cc(C#N)cc2-n2c3ccccc3c3cc(-c4nccc(-c5cc(-c6ncccn6)cc6c5c5ccc(-c7ncccn7)cc5n6-c5cc(C#N)cc(-n6c7cc(-c8ncccn8)ccc7c7ccc(-c8ncccn8)cc76)c5-c5cc(C#N)cc(C(F)(F)F)c5)n4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C102H52F6N20/c103-101(104,105)69-38-57(53-109)36-66(44-69)92-87(125-80-12-3-1-10-71(80)76-46-61(17-22-82(76)125)95-113-25-5-26-114-95)40-59(55-111)41-88(92)126-81-13-4-2-11-72(81)77-47-62(18-23-83(77)126)100-123-35-24-79(124-100)78-48-68(99-121-33-9-34-122-99)52-91-94(78)75-21-16-65(98-119-31-8-32-120-98)51-86(75)128(91)90-43-60(56-112)42-89(93(90)67-37-58(54-110)39-70(45-67)102(106,107)108)127-84-49-63(96-115-27-6-28-116-96)14-19-73(84)74-20-15-64(50-85(74)127)97-117-29-7-30-118-97/h1-52H
InChIKeyMMXBHSIKAYDHIN-UHFFFAOYSA-N
MW1671.67 g/mol
LogP23.34
Rot. Bonds13

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

3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (PubChem CID 155217961) has the molecular formula C102H52F6N20 and a molecular weight of 1671.67 g/mol. Its IUPAC name is 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
PubChem CID155217961
Molecular FormulaC102H52F6N20
Molecular Weight1671.67 g/mol
Exact Mass1670.46
IUPAC Name3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-c2c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)cc(C#N)cc2-n2c3ccccc3c3cc(-c4nccc(-c5cc(-c6ncccn6)cc6c5c5ccc(-c7ncccn7)cc5n6-c5cc(C#N)cc(-n6c7cc(-c8ncccn8)ccc7c7ccc(-c8ncccn8)cc76)c5-c5cc(C#N)cc(C(F)(F)F)c5)n4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C102H52F6N20/c103-101(104,105)69-38-57(53-109)36-66(44-69)92-87(125-80-12-3-1-10-71(80)76-46-61(17-22-82(76)125)95-113-25-5-26-114-95)40-59(55-111)41-88(92)126-81-13-4-2-11-72(81)77-47-62(18-23-83(77)126)100-123-35-24-79(124-100)78-48-68(99-121-33-9-34-122-99)52-91-94(78)75-21-16-65(98-119-31-8-32-120-98)51-86(75)128(91)90-43-60(56-112)42-89(93(90)67-37-58(54-110)39-70(45-67)102(106,107)108)127-84-49-63(96-115-27-6-28-116-96)14-19-73(84)74-20-15-64(50-85(74)127)97-117-29-7-30-118-97/h1-52H
InChIKeyMMXBHSIKAYDHIN-UHFFFAOYSA-N
XLogP23.34
TPSA269.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.67
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (CID 155217961) is 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is N#Cc1cc(-c2c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)cc(C#N)cc2-n2c3ccccc3c3cc(-c4nccc(-c5cc(-c6ncccn6)cc6c5c5ccc(-c7ncccn7)cc5n6-c5cc(C#N)cc(-n6c7cc(-c8ncccn8)ccc7c7ccc(-c8ncccn8)cc76)c5-c5cc(C#N)cc(C(F)(F)F)c5)n4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The InChIKey is MMXBHSIKAYDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H52F6N20/c103-101(104,105)69-38-57(53-109)36-66(44-69)92-87(125-80-12-3-1-10-71(80)76-46-61(17-22-82(76)125)95-113-25-5-26-114-95)40-59(55-111)41-88(92)126-81-13-4-2-11-72(81)77-47-62(18-23-83(77)126)100-123-35-24-79(124-100)78-48-68(99-121-33-9-34-122-99)52-91-94(78)75-21-16-65(98-119-31-8-32-120-98)51-86(75)128(91)90-43-60(56-112)42-89(93(90)67-37-58(54-110)39-70(45-67)102(106,107)108)127-84-49-63(96-115-27-6-28-116-96)14-19-73(84)74-20-15-64(50-85(74)127)97-117-29-7-30-118-97/h1-52H.
What are the key properties of 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile has a molecular weight of 1671.67 g/mol, XLogP of 23.34, 13 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[9-[5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-4-yl]pyrimidin-2-yl]carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 155217961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).