1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole

C427H290N20 — CID 160989696

IUPAC1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole
SMILESCC(C)(C)c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3c(-c4ccccc4)cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3-c3ccccc3)c12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)c(-c7ccccc7)ccc6c6ccc(-c7ccccc7)c(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)ccc(-c7ccccc7)c6c6c(-c7ccccc7)ccc(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)c(-c7ccccc7)cc6c6cc(-c7ccccc7)c(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)cc(-c7ccccc7)c6c6c(-c7ccccc7)cc(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/4C87H58N4.C79H58N4/c1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-51-70(60-30-12-2-13-31-60)50-71(52-72)61-32-14-3-15-33-61)90-87(89-85)73-53-78(67-42-24-8-25-43-67)84(79(54-73)68-44-26-9-27-45-68)91-82-57-76(65-38-20-6-21-39-65)74(63-34-16-4-17-35-63)55-80(82)81-56-75(64-36-18-5-19-37-64)77(58-83(81)91)66-40-22-7-23-41-66;1-10-28-59(29-11-1)64-46-48-69(49-47-64)85-88-86(74-51-70(60-30-12-2-13-31-60)50-71(52-74)61-32-14-3-15-33-61)90-87(89-85)75-55-78(67-42-24-8-25-43-67)84(79(56-75)68-44-26-9-27-45-68)91-80-57-72(62-34-16-4-17-35-62)53-76(65-38-20-6-21-39-65)82(80)83-77(66-40-22-7-23-41-66)54-73(58-81(83)91)63-36-18-5-19-37-63;1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-55-70(60-30-12-2-13-31-60)54-71(56-72)61-32-14-3-15-33-61)90-87(89-85)73-57-78(65-38-20-6-21-39-65)82(79(58-73)66-40-22-7-23-41-66)91-83-76(52-50-74(63-34-16-4-17-35-63)80(83)67-42-24-8-25-43-67)77-53-51-75(64-36-18-5-19-37-64)81(84(77)91)68-44-26-9-27-45-68;1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-55-70(60-30-12-2-13-31-60)54-71(56-72)61-32-14-3-15-33-61)90-87(89-85)73-57-78(67-42-24-8-25-43-67)82(79(58-73)68-44-26-9-27-45-68)91-83-76(65-38-20-6-21-39-65)52-50-74(63-34-16-4-17-35-63)80(83)81-75(64-36-18-5-19-37-64)51-53-77(84(81)91)66-40-22-7-23-41-66;1-79(2,3)72-52-65(57-33-19-8-20-34-57)49-71-70-48-62(54-27-13-5-14-28-54)43-44-73(70)83(75(71)72)74-68(59-35-21-9-22-36-59)50-67(51-69(74)60-37-23-10-24-38-60)78-81-76(61-41-39-58(40-42-61)53-25-11-4-12-26-53)80-77(82-78)66-46-63(55-29-15-6-16-30-55)45-64(47-66)56-31-17-7-18-32-56/h4*1-58H;4-52H,1-3H3
InChIKeyTULOAXYFUFIQBQ-UHFFFAOYSA-N
MW5701.16 g/mol
LogP112.83
Rot. Bonds63

About 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole

1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole (PubChem CID 160989696) has the molecular formula C427H290N20 and a molecular weight of 5701.16 g/mol. Its IUPAC name is 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole.

Molecular Properties

Compound Name1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole
PubChem CID160989696
Molecular FormulaC427H290N20
Molecular Weight5701.16 g/mol
Exact Mass5696.33
IUPAC Name1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole
SMILESCC(C)(C)c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3c(-c4ccccc4)cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3-c3ccccc3)c12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)c(-c7ccccc7)ccc6c6ccc(-c7ccccc7)c(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)ccc(-c7ccccc7)c6c6c(-c7ccccc7)ccc(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)c(-c7ccccc7)cc6c6cc(-c7ccccc7)c(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)cc(-c7ccccc7)c6c6c(-c7ccccc7)cc(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/4C87H58N4.C79H58N4/c1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-51-70(60-30-12-2-13-31-60)50-71(52-72)61-32-14-3-15-33-61)90-87(89-85)73-53-78(67-42-24-8-25-43-67)84(79(54-73)68-44-26-9-27-45-68)91-82-57-76(65-38-20-6-21-39-65)74(63-34-16-4-17-35-63)55-80(82)81-56-75(64-36-18-5-19-37-64)77(58-83(81)91)66-40-22-7-23-41-66;1-10-28-59(29-11-1)64-46-48-69(49-47-64)85-88-86(74-51-70(60-30-12-2-13-31-60)50-71(52-74)61-32-14-3-15-33-61)90-87(89-85)75-55-78(67-42-24-8-25-43-67)84(79(56-75)68-44-26-9-27-45-68)91-80-57-72(62-34-16-4-17-35-62)53-76(65-38-20-6-21-39-65)82(80)83-77(66-40-22-7-23-41-66)54-73(58-81(83)91)63-36-18-5-19-37-63;1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-55-70(60-30-12-2-13-31-60)54-71(56-72)61-32-14-3-15-33-61)90-87(89-85)73-57-78(65-38-20-6-21-39-65)82(79(58-73)66-40-22-7-23-41-66)91-83-76(52-50-74(63-34-16-4-17-35-63)80(83)67-42-24-8-25-43-67)77-53-51-75(64-36-18-5-19-37-64)81(84(77)91)68-44-26-9-27-45-68;1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-55-70(60-30-12-2-13-31-60)54-71(56-72)61-32-14-3-15-33-61)90-87(89-85)73-57-78(67-42-24-8-25-43-67)82(79(58-73)68-44-26-9-27-45-68)91-83-76(65-38-20-6-21-39-65)52-50-74(63-34-16-4-17-35-63)80(83)81-75(64-36-18-5-19-37-64)51-53-77(84(81)91)66-40-22-7-23-41-66;1-79(2,3)72-52-65(57-33-19-8-20-34-57)49-71-70-48-62(54-27-13-5-14-28-54)43-44-73(70)83(75(71)72)74-68(59-35-21-9-22-36-59)50-67(51-69(74)60-37-23-10-24-38-60)78-81-76(61-41-39-58(40-42-61)53-25-11-4-12-26-53)80-77(82-78)66-46-63(55-29-15-6-16-30-55)45-64(47-66)56-31-17-7-18-32-56/h4*1-58H;4-52H,1-3H3
InChIKeyTULOAXYFUFIQBQ-UHFFFAOYSA-N
XLogP112.83
TPSA218.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds63
Heavy Atoms447
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005701.16
LogP ≤ 5112.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole 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

1-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 146280895
1-(4-tert-butylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6-triphenylcarbazole
CID 159141335
9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole
CID 157201190
1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 146281225
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole
CID 153301126
1,3,6-tritert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280540
9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 146414212
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568
6-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 146280994
6-tert-butyl-2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole;2,7-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 162013104
3-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-isocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diisocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-isocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-isocyano-6-phenylcarbazole
CID 159299447

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole?
The IUPAC name of 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole (CID 160989696) is 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole.
What is the SMILES notation for 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole?
The canonical SMILES for 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole is CC(C)(C)c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3c(-c4ccccc4)cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3-c3ccccc3)c12.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)c(-c7ccccc7)ccc6c6ccc(-c7ccccc7)c(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)ccc(-c7ccccc7)c6c6c(-c7ccccc7)ccc(-c7ccccc7)c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)c(-c7ccccc7)cc6c6cc(-c7ccccc7)c(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)c(-n5c6cc(-c7ccccc7)cc(-c7ccccc7)c6c6c(-c7ccccc7)cc(-c7ccccc7)cc65)c(-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole?
The InChIKey is TULOAXYFUFIQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C87H58N4.C79H58N4/c1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-51-70(60-30-12-2-13-31-60)50-71(52-72)61-32-14-3-15-33-61)90-87(89-85)73-53-78(67-42-24-8-25-43-67)84(79(54-73)68-44-26-9-27-45-68)91-82-57-76(65-38-20-6-21-39-65)74(63-34-16-4-17-35-63)55-80(82)81-56-75(64-36-18-5-19-37-64)77(58-83(81)91)66-40-22-7-23-41-66;1-10-28-59(29-11-1)64-46-48-69(49-47-64)85-88-86(74-51-70(60-30-12-2-13-31-60)50-71(52-74)61-32-14-3-15-33-61)90-87(89-85)75-55-78(67-42-24-8-25-43-67)84(79(56-75)68-44-26-9-27-45-68)91-80-57-72(62-34-16-4-17-35-62)53-76(65-38-20-6-21-39-65)82(80)83-77(66-40-22-7-23-41-66)54-73(58-81(83)91)63-36-18-5-19-37-63;1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-55-70(60-30-12-2-13-31-60)54-71(56-72)61-32-14-3-15-33-61)90-87(89-85)73-57-78(65-38-20-6-21-39-65)82(79(58-73)66-40-22-7-23-41-66)91-83-76(52-50-74(63-34-16-4-17-35-63)80(83)67-42-24-8-25-43-67)77-53-51-75(64-36-18-5-19-37-64)81(84(77)91)68-44-26-9-27-45-68;1-10-28-59(29-11-1)62-46-48-69(49-47-62)85-88-86(72-55-70(60-30-12-2-13-31-60)54-71(56-72)61-32-14-3-15-33-61)90-87(89-85)73-57-78(67-42-24-8-25-43-67)82(79(58-73)68-44-26-9-27-45-68)91-83-76(65-38-20-6-21-39-65)52-50-74(63-34-16-4-17-35-63)80(83)81-75(64-36-18-5-19-37-64)51-53-77(84(81)91)66-40-22-7-23-41-66;1-79(2,3)72-52-65(57-33-19-8-20-34-57)49-71-70-48-62(54-27-13-5-14-28-54)43-44-73(70)83(75(71)72)74-68(59-35-21-9-22-36-59)50-67(51-69(74)60-37-23-10-24-38-60)78-81-76(61-41-39-58(40-42-61)53-25-11-4-12-26-53)80-77(82-78)66-46-63(55-29-15-6-16-30-55)45-64(47-66)56-31-17-7-18-32-56/h4*1-58H;4-52H,1-3H3.
What are the key properties of 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole?
1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole has a molecular weight of 5701.16 g/mol, XLogP of 112.83, 63 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,3,6,7-tetraphenylcarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,4,5,7-tetraphenylcarbazole is sourced from PubChem (CID 160989696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).