9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole

C187H113F9N26 — CID 158866080

IUPAC9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
SMILESCc1cc(-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.Cc1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21
InChIInChI=1S/C97H60F2N14.C45H25F5N6.C45H28F2N6/c1-59-53-84(113-81-51-47-70(96-108-90(64-35-18-6-19-36-64)102-91(109-96)65-37-20-7-21-38-65)56-74(81)75-57-71(48-52-82(75)113)97-110-92(66-39-22-8-23-40-66)103-93(111-97)67-41-24-9-25-42-67)76(85-77(98)43-26-44-78(85)99)58-83(59)112-79-49-45-68(94-104-86(60-27-10-2-11-28-60)100-87(105-94)61-29-12-3-13-30-61)54-72(79)73-55-69(46-50-80(73)112)95-106-88(62-31-14-4-15-32-62)101-89(107-95)63-33-16-5-17-34-63;46-34-10-5-11-35(47)42(34)32-24-41(56-37-13-4-2-9-29(37)31-17-15-27(23-39(31)56)44-53-20-7-21-54-44)33(45(48,49)50)25-40(32)55-36-12-3-1-8-28(36)30-16-14-26(22-38(30)55)43-51-18-6-19-52-43;1-27-23-42(53-38-14-5-3-10-31(38)33-25-29(16-18-40(33)53)45-50-21-8-22-51-45)34(43-35(46)11-6-12-36(43)47)26-41(27)52-37-13-4-2-9-30(37)32-24-28(15-17-39(32)52)44-48-19-7-20-49-44/h2-58H,1H3;1-25H;2-26H,1H3
InChIKeyJBGCKJGJJUWEOR-UHFFFAOYSA-N
MW2895.12 g/mol
LogP45.69
Rot. Bonds25

About 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole

9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole (PubChem CID 158866080) has the molecular formula C187H113F9N26 and a molecular weight of 2895.12 g/mol. Its IUPAC name is 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
PubChem CID158866080
Molecular FormulaC187H113F9N26
Molecular Weight2895.12 g/mol
Exact Mass2892.95
IUPAC Name9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
SMILESCc1cc(-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.Cc1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21
InChIInChI=1S/C97H60F2N14.C45H25F5N6.C45H28F2N6/c1-59-53-84(113-81-51-47-70(96-108-90(64-35-18-6-19-36-64)102-91(109-96)65-37-20-7-21-38-65)56-74(81)75-57-71(48-52-82(75)113)97-110-92(66-39-22-8-23-40-66)103-93(111-97)67-41-24-9-25-42-67)76(85-77(98)43-26-44-78(85)99)58-83(59)112-79-49-45-68(94-104-86(60-27-10-2-11-28-60)100-87(105-94)61-29-12-3-13-30-61)54-72(79)73-55-69(46-50-80(73)112)95-106-88(62-31-14-4-15-32-62)101-89(107-95)63-33-16-5-17-34-63;46-34-10-5-11-35(47)42(34)32-24-41(56-37-13-4-2-9-29(37)31-17-15-27(23-39(31)56)44-53-20-7-21-54-44)33(45(48,49)50)25-40(32)55-36-12-3-1-8-28(36)30-16-14-26(22-38(30)55)43-51-18-6-19-52-43;1-27-23-42(53-38-14-5-3-10-31(38)33-25-29(16-18-40(33)53)45-50-21-8-22-51-45)34(43-35(46)11-6-12-36(43)47)26-41(27)52-37-13-4-2-9-30(37)32-24-28(15-17-39(32)52)44-48-19-7-20-49-44/h2-58H,1H3;1-25H;2-26H,1H3
InChIKeyJBGCKJGJJUWEOR-UHFFFAOYSA-N
XLogP45.69
TPSA287.38 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002895.12
LogP ≤ 545.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole 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

9-[4-[3-[6-Phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
CID 67949352
2-(2-Adamantyl)-9-[3-[2-(2-adamantyl)-6-ethylpyrimido[4,5-b]indol-9-yl]-5-(trifluoromethyl)phenyl]-6-ethylpyrimido[4,5-b]indole
CID 67988504
2-Tert-butyl-9-[3-[3-(2-tert-butylpyrimido[4,5-b]indol-9-yl)-5-fluorophenyl]-5-fluorophenyl]pyrimido[4,5-b]indole
CID 67988529
9-[4-[3-[4-(3-Fluorophenyl)phenyl]phenyl]pyrimidin-2-yl]-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 68015399
3-[9-[5-[3-Fluoro-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2,3-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 68015410
3-[9-(4-Fluorophenyl)carbazol-3-yl]-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 68015483
5-Phenyl-7-[4-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyridin-2-yl]-3-(trifluoromethyl)indolo[2,3-b]carbazole
CID 68082641
3-[2-[4-Methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
CID 70906150
3-(4-Fluorophenyl)-2-[3-[3-(4-fluorophenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenyl]imidazo[4,5-f][1,10]phenanthroline
CID 74538788
9-Phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole
CID 87849614
6-[6-(7-Fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole
CID 88886668
9,23-Bis[3-methyl-5-(trifluoromethyl)phenyl]-7,9,21,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 89308898

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
The IUPAC name of 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole (CID 158866080) is 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
The canonical SMILES for 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole is 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.Cc1cc(-n2c3ccccc3c3cc(-c4ncccn4)ccc32)c(-c2c(F)cccc2F)cc1-n1c2ccccc2c2cc(-c3ncccn3)ccc21.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc(-c4ncccn4)cc32)c(C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3ncccn3)cc21.
What is the InChIKey of 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
The InChIKey is JBGCKJGJJUWEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H60F2N14.C45H25F5N6.C45H28F2N6/c1-59-53-84(113-81-51-47-70(96-108-90(64-35-18-6-19-36-64)102-91(109-96)65-37-20-7-21-38-65)56-74(81)75-57-71(48-52-82(75)113)97-110-92(66-39-22-8-23-40-66)103-93(111-97)67-41-24-9-25-42-67)76(85-77(98)43-26-44-78(85)99)58-83(59)112-79-49-45-68(94-104-86(60-27-10-2-11-28-60)100-87(105-94)61-29-12-3-13-30-61)54-72(79)73-55-69(46-50-80(73)112)95-106-88(62-31-14-4-15-32-62)101-89(107-95)63-33-16-5-17-34-63;46-34-10-5-11-35(47)42(34)32-24-41(56-37-13-4-2-9-29(37)31-17-15-27(23-39(31)56)44-53-20-7-21-54-44)33(45(48,49)50)25-40(32)55-36-12-3-1-8-28(36)30-16-14-26(22-38(30)55)43-51-18-6-19-52-43;1-27-23-42(53-38-14-5-3-10-31(38)33-25-29(16-18-40(33)53)45-50-21-8-22-51-45)34(43-35(46)11-6-12-36(43)47)26-41(27)52-37-13-4-2-9-30(37)32-24-28(15-17-39(32)52)44-48-19-7-20-49-44/h2-58H,1H3;1-25H;2-26H,1H3.
What are the key properties of 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole?
9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole has a molecular weight of 2895.12 g/mol, XLogP of 45.69, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-difluorophenyl)-5-methyl-4-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole;9-[2-(2,6-difluorophenyl)-4-(2-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 158866080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).