2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

C187H107F6N29 — CID 157252069

IUPAC2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.N#Cc1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.N#Cc1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21
InChIInChI=1S/C97H57F2N15.2C45H25F2N7/c98-77-42-25-43-78(99)85(77)76-57-83(113-79-48-44-67(94-105-86(59-26-9-1-10-27-59)101-87(106-94)60-28-11-2-12-29-60)52-72(79)73-53-68(45-49-80(73)113)95-107-88(61-30-13-3-14-31-61)102-89(108-95)62-32-15-4-16-33-62)71(58-100)56-84(76)114-81-50-46-69(96-109-90(63-34-17-5-18-35-63)103-91(110-96)64-36-19-6-20-37-64)54-74(81)75-55-70(47-51-82(75)114)97-111-92(65-38-21-7-22-39-65)104-93(112-97)66-40-23-8-24-41-66;46-35-10-5-11-36(47)43(35)34-25-41(53-37-12-3-1-8-30(37)32-22-27(14-16-39(32)53)44-49-18-6-19-50-44)29(26-48)24-42(34)54-38-13-4-2-9-31(38)33-23-28(15-17-40(33)54)45-51-20-7-21-52-45;46-35-10-5-11-36(47)43(35)34-25-39(53-37-12-3-1-8-30(37)32-16-14-27(22-40(32)53)44-49-18-6-19-50-44)29(26-48)24-42(34)54-38-13-4-2-9-31(38)33-17-15-28(23-41(33)54)45-51-20-7-21-52-45/h1-57H;2*1-25H
InChIKeyAWLMNWGSOYUDAF-UHFFFAOYSA-N
MW2874.10 g/mol
LogP43.67
Rot. Bonds25

About 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile

2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (PubChem CID 157252069) has the molecular formula C187H107F6N29 and a molecular weight of 2874.10 g/mol. Its IUPAC name is 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
PubChem CID157252069
Molecular FormulaC187H107F6N29
Molecular Weight2874.10 g/mol
Exact Mass2871.92
IUPAC Name2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.N#Cc1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.N#Cc1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21
InChIInChI=1S/C97H57F2N15.2C45H25F2N7/c98-77-42-25-43-78(99)85(77)76-57-83(113-79-48-44-67(94-105-86(59-26-9-1-10-27-59)101-87(106-94)60-28-11-2-12-29-60)52-72(79)73-53-68(45-49-80(73)113)95-107-88(61-30-13-3-14-31-61)102-89(108-95)62-32-15-4-16-33-62)71(58-100)56-84(76)114-81-50-46-69(96-109-90(63-34-17-5-18-35-63)103-91(110-96)64-36-19-6-20-37-64)54-74(81)75-55-70(47-51-82(75)114)97-111-92(65-38-21-7-22-39-65)104-93(112-97)66-40-23-8-24-41-66;46-35-10-5-11-36(47)43(35)34-25-41(53-37-12-3-1-8-30(37)32-22-27(14-16-39(32)53)44-49-18-6-19-50-44)29(26-48)24-42(34)54-38-13-4-2-9-31(38)33-23-28(15-17-40(33)54)45-51-20-7-21-52-45;46-35-10-5-11-36(47)43(35)34-25-39(53-37-12-3-1-8-30(37)32-16-14-27(22-40(32)53)44-49-18-6-19-50-44)29(26-48)24-42(34)54-38-13-4-2-9-31(38)33-17-15-28(23-41(33)54)45-51-20-7-21-52-45/h1-57H;2*1-25H
InChIKeyAWLMNWGSOYUDAF-UHFFFAOYSA-N
XLogP43.67
TPSA358.75 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002874.10
LogP ≤ 543.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(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

Related Compounds

2,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 146996170
4-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146982199
4-(3,5-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 148646626
3-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 154959875
2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216461
2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 157118113
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138730538
4-(2,3,4,5,6-pentafluorophenyl)-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959931
4-(3-isocyanophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 155646815
5-[9-[4-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138565359
2-(2,6-difluorophenyl)-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 154959933
2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419759

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The IUPAC name of 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile (CID 157252069) is 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is N#Cc1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.N#Cc1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.N#Cc1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.
What is the InChIKey of 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
The InChIKey is AWLMNWGSOYUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H57F2N15.2C45H25F2N7/c98-77-42-25-43-78(99)85(77)76-57-83(113-79-48-44-67(94-105-86(59-26-9-1-10-27-59)101-87(106-94)60-28-11-2-12-29-60)52-72(79)73-53-68(45-49-80(73)113)95-107-88(61-30-13-3-14-31-61)102-89(108-95)62-32-15-4-16-33-62)71(58-100)56-84(76)114-81-50-46-69(96-109-90(63-34-17-5-18-35-63)103-91(110-96)64-36-19-6-20-37-64)54-74(81)75-55-70(47-51-82(75)114)97-111-92(65-38-21-7-22-39-65)104-93(112-97)66-40-23-8-24-41-66;46-35-10-5-11-36(47)43(35)34-25-41(53-37-12-3-1-8-30(37)32-22-27(14-16-39(32)53)44-49-18-6-19-50-44)29(26-48)24-42(34)54-38-13-4-2-9-31(38)33-23-28(15-17-40(33)54)45-51-20-7-21-52-45;46-35-10-5-11-36(47)43(35)34-25-39(53-37-12-3-1-8-30(37)32-16-14-27(22-40(32)53)44-49-18-6-19-50-44)29(26-48)24-42(34)54-38-13-4-2-9-31(38)33-17-15-28(23-41(33)54)45-51-20-7-21-52-45/h1-57H;2*1-25H.
What are the key properties of 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile?
2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile has a molecular weight of 2874.10 g/mol, XLogP of 43.67, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-(2,6-difluorophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 157252069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).