3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

C124H75N11S2 — CID 134203289

IUPAC3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c8sc9ccccc9c8c7)c6)n5)c5sc6ccccc6c45)c3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C124H75N11S2/c1-5-28-78(29-6-1)105-75-106(126-118(125-105)82-56-54-76(55-57-82)77-58-62-91(63-59-77)133-107-48-19-13-42-95(107)96-43-14-20-49-108(96)133)87-38-26-37-84(69-87)93-64-65-94(117-115(93)100-47-18-24-53-114(100)137-117)85-60-67-112-103(71-85)98-45-16-22-51-110(98)135(112)124-131-121(81-34-11-4-12-35-81)130-123(132-124)88-39-25-36-83(68-88)90-73-101(116-104(74-90)99-46-17-23-52-113(99)136-116)86-61-66-111-102(72-86)97-44-15-21-50-109(97)134(111)92-41-27-40-89(70-92)122-128-119(79-30-7-2-8-31-79)127-120(129-122)80-32-9-3-10-33-80/h1-75H
InChIKeyAJYLKJLRBFFZSK-UHFFFAOYSA-N
MW1783.17 g/mol
LogP32.54
Rot. Bonds16

About 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole

3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 134203289) has the molecular formula C124H75N11S2 and a molecular weight of 1783.17 g/mol. Its IUPAC name is 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID134203289
Molecular FormulaC124H75N11S2
Molecular Weight1783.17 g/mol
Exact Mass1781.56
IUPAC Name3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c8sc9ccccc9c8c7)c6)n5)c5sc6ccccc6c45)c3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C124H75N11S2/c1-5-28-78(29-6-1)105-75-106(126-118(125-105)82-56-54-76(55-57-82)77-58-62-91(63-59-77)133-107-48-19-13-42-95(107)96-43-14-20-49-108(96)133)87-38-26-37-84(69-87)93-64-65-94(117-115(93)100-47-18-24-53-114(100)137-117)85-60-67-112-103(71-85)98-45-16-22-51-110(98)135(112)124-131-121(81-34-11-4-12-35-81)130-123(132-124)88-39-25-36-83(68-88)90-73-101(116-104(74-90)99-46-17-23-52-113(99)136-116)86-61-66-111-102(72-86)97-44-15-21-50-109(97)134(111)92-41-27-40-89(70-92)122-128-119(79-30-7-2-8-31-79)127-120(129-122)80-32-9-3-10-33-80/h1-75H
InChIKeyAJYLKJLRBFFZSK-UHFFFAOYSA-N
XLogP32.54
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.17
LogP ≤ 532.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 134203289) is 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c8sc9ccccc9c8c7)c6)n5)c5sc6ccccc6c45)c3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.
What is the InChIKey of 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is AJYLKJLRBFFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H75N11S2/c1-5-28-78(29-6-1)105-75-106(126-118(125-105)82-56-54-76(55-57-82)77-58-62-91(63-59-77)133-107-48-19-13-42-95(107)96-43-14-20-49-108(96)133)87-38-26-37-84(69-87)93-64-65-94(117-115(93)100-47-18-24-53-114(100)137-117)85-60-67-112-103(71-85)98-45-16-22-51-110(98)135(112)124-131-121(81-34-11-4-12-35-81)130-123(132-124)88-39-25-36-83(68-88)90-73-101(116-104(74-90)99-46-17-23-52-113(99)136-116)86-61-66-111-102(72-86)97-44-15-21-50-109(97)134(111)92-41-27-40-89(70-92)122-128-119(79-30-7-2-8-31-79)127-120(129-122)80-32-9-3-10-33-80/h1-75H.
What are the key properties of 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1783.17 g/mol, XLogP of 32.54, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]-9-[4-[3-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 134203289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).