9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C418H274N20O2S — CID 159618847

IUPAC9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc5c4sc4ccccc45)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c(-c5ccc(-c6ccccc6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C75H48N4O.C75H50N4.2C70H47N3.C64H41N3O.C64H41N3S/c1-6-18-49(19-7-1)53-30-34-55(35-31-53)64-46-61(75-77-73(57-26-14-5-15-27-57)76-74(78-75)60-38-41-63-62-28-16-17-29-70(62)80-71(63)48-60)47-65(56-36-32-54(33-37-56)50-20-8-2-9-21-50)72(64)79-68-42-39-58(51-22-10-3-11-23-51)44-66(68)67-45-59(40-43-69(67)79)52-24-12-4-13-25-52;1-7-19-51(20-8-1)56-31-37-59(38-32-56)66-49-65(75-77-73(61-29-17-6-18-30-61)76-74(78-75)62-41-35-58(36-42-62)53-23-11-3-12-24-53)50-67(60-39-33-57(34-40-60)52-21-9-2-10-22-52)72(66)79-70-45-43-63(54-25-13-4-14-26-54)47-68(70)69-48-64(44-46-71(69)79)55-27-15-5-16-28-55;1-7-19-48(20-8-1)52-31-35-54(36-32-52)61-45-60(66-47-65(56-27-15-5-16-28-56)71-70(72-66)57-29-17-6-18-30-57)46-62(55-37-33-53(34-38-55)49-21-9-2-10-22-49)69(61)73-67-41-39-58(50-23-11-3-12-24-50)43-63(67)64-44-59(40-42-68(64)73)51-25-13-4-14-26-51;1-7-19-48(20-8-1)52-31-35-54(36-32-52)61-45-60(70-71-65(56-27-15-5-16-28-56)47-66(72-70)57-29-17-6-18-30-57)46-62(55-37-33-53(34-38-55)49-21-9-2-10-22-49)69(61)73-67-41-39-58(50-23-11-3-12-24-50)43-63(67)64-44-59(40-42-68(64)73)51-25-13-4-14-26-51;2*1-5-17-42(18-6-1)45-29-33-47(34-30-45)54-40-51(60-63-61(53-26-14-16-28-59(53)68-63)66-64(65-60)49-23-11-4-12-24-49)41-55(48-35-31-46(32-36-48)43-19-7-2-8-20-43)62(54)67-57-27-15-13-25-52(57)56-39-50(37-38-58(56)67)44-21-9-3-10-22-44/h1-48H;1-50H;2*1-47H;2*1-41H
InChIKeyMNQDDSWUSQTUST-UHFFFAOYSA-N
MW5641.00 g/mol
LogP111.42
Rot. Bonds57

About 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine

9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159618847) has the molecular formula C418H274N20O2S and a molecular weight of 5641.00 g/mol. Its IUPAC name is 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159618847
Molecular FormulaC418H274N20O2S
Molecular Weight5641.00 g/mol
Exact Mass5636.17
IUPAC Name9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc5c4sc4ccccc45)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c(-c5ccc(-c6ccccc6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C75H48N4O.C75H50N4.2C70H47N3.C64H41N3O.C64H41N3S/c1-6-18-49(19-7-1)53-30-34-55(35-31-53)64-46-61(75-77-73(57-26-14-5-15-27-57)76-74(78-75)60-38-41-63-62-28-16-17-29-70(62)80-71(63)48-60)47-65(56-36-32-54(33-37-56)50-20-8-2-9-21-50)72(64)79-68-42-39-58(51-22-10-3-11-23-51)44-66(68)67-45-59(40-43-69(67)79)52-24-12-4-13-25-52;1-7-19-51(20-8-1)56-31-37-59(38-32-56)66-49-65(75-77-73(61-29-17-6-18-30-61)76-74(78-75)62-41-35-58(36-42-62)53-23-11-3-12-24-53)50-67(60-39-33-57(34-40-60)52-21-9-2-10-22-52)72(66)79-70-45-43-63(54-25-13-4-14-26-54)47-68(70)69-48-64(44-46-71(69)79)55-27-15-5-16-28-55;1-7-19-48(20-8-1)52-31-35-54(36-32-52)61-45-60(66-47-65(56-27-15-5-16-28-56)71-70(72-66)57-29-17-6-18-30-57)46-62(55-37-33-53(34-38-55)49-21-9-2-10-22-49)69(61)73-67-41-39-58(50-23-11-3-12-24-50)43-63(67)64-44-59(40-42-68(64)73)51-25-13-4-14-26-51;1-7-19-48(20-8-1)52-31-35-54(36-32-52)61-45-60(70-71-65(56-27-15-5-16-28-56)47-66(72-70)57-29-17-6-18-30-57)46-62(55-37-33-53(34-38-55)49-21-9-2-10-22-49)69(61)73-67-41-39-58(50-23-11-3-12-24-50)43-63(67)64-44-59(40-42-68(64)73)51-25-13-4-14-26-51;2*1-5-17-42(18-6-1)45-29-33-47(34-30-45)54-40-51(60-63-61(53-26-14-16-28-59(53)68-63)66-64(65-60)49-23-11-4-12-24-49)41-55(48-35-31-46(32-36-48)43-19-7-2-8-20-43)62(54)67-57-27-15-13-25-52(57)56-39-50(37-38-58(56)67)44-21-9-3-10-22-44/h1-48H;1-50H;2*1-47H;2*1-41H
InChIKeyMNQDDSWUSQTUST-UHFFFAOYSA-N
XLogP111.42
TPSA236.32 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds57
Heavy Atoms441
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005641.00
LogP ≤ 5111.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine 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-[2,6-bis(4-tert-butylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[3,5-diphenyl-4-(3-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 165034753
2-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978555
24-[2,6-diphenyl-4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]-11-phenyl-15-oxa-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 146280907
2-[7-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978299
2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-4-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157442670
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;9-[4-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 159968562
2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[8-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 161346822
24-[2,6-diphenyl-4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]-4,15-dioxa-24-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[2,6-diphenyl-4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]-11,15-dioxa-24-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene;24-[2,6-diphenyl-4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-[2,6-diphenyl-4-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]-11-phenyl-15-oxa-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 159378011
4-phenyl-2-[2-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158384659
4-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[4-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[4-(6-carbazol-9-yl-2-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 165109642
7-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 146280819
2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;bis(2-[6-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine);2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159465675

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 159618847) is 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc5c4sc4ccccc45)cc(-c4ccc(-c5ccccc5)cc4)c3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c(-c5ccc(-c6ccccc6)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is MNQDDSWUSQTUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N4O.C75H50N4.2C70H47N3.C64H41N3O.C64H41N3S/c1-6-18-49(19-7-1)53-30-34-55(35-31-53)64-46-61(75-77-73(57-26-14-5-15-27-57)76-74(78-75)60-38-41-63-62-28-16-17-29-70(62)80-71(63)48-60)47-65(56-36-32-54(33-37-56)50-20-8-2-9-21-50)72(64)79-68-42-39-58(51-22-10-3-11-23-51)44-66(68)67-45-59(40-43-69(67)79)52-24-12-4-13-25-52;1-7-19-51(20-8-1)56-31-37-59(38-32-56)66-49-65(75-77-73(61-29-17-6-18-30-61)76-74(78-75)62-41-35-58(36-42-62)53-23-11-3-12-24-53)50-67(60-39-33-57(34-40-60)52-21-9-2-10-22-52)72(66)79-70-45-43-63(54-25-13-4-14-26-54)47-68(70)69-48-64(44-46-71(69)79)55-27-15-5-16-28-55;1-7-19-48(20-8-1)52-31-35-54(36-32-52)61-45-60(66-47-65(56-27-15-5-16-28-56)71-70(72-66)57-29-17-6-18-30-57)46-62(55-37-33-53(34-38-55)49-21-9-2-10-22-49)69(61)73-67-41-39-58(50-23-11-3-12-24-50)43-63(67)64-44-59(40-42-68(64)73)51-25-13-4-14-26-51;1-7-19-48(20-8-1)52-31-35-54(36-32-52)61-45-60(70-71-65(56-27-15-5-16-28-56)47-66(72-70)57-29-17-6-18-30-57)46-62(55-37-33-53(34-38-55)49-21-9-2-10-22-49)69(61)73-67-41-39-58(50-23-11-3-12-24-50)43-63(67)64-44-59(40-42-68(64)73)51-25-13-4-14-26-51;2*1-5-17-42(18-6-1)45-29-33-47(34-30-45)54-40-51(60-63-61(53-26-14-16-28-59(53)68-63)66-64(65-60)49-23-11-4-12-24-49)41-55(48-35-31-46(32-36-48)43-19-7-2-8-20-43)62(54)67-57-27-15-13-25-52(57)56-39-50(37-38-58(56)67)44-21-9-3-10-22-44/h1-48H;1-50H;2*1-47H;2*1-41H.
What are the key properties of 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 5641.00 g/mol, XLogP of 111.42, 57 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[4-(3-phenylcarbazol-9-yl)-3,5-bis(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159618847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).