[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole

C208H130N18O2 — CID 162095868

IUPAC[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole
SMILESO=C(c1ccccn1)c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c(-c4cccc(-c5ccc(C(=O)c6ccccn6)nc5)c4)cc3-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c2)cn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C124H76N10O2.C84H54N8/c135-123(107-35-17-19-65-125-107)109-59-49-83(75-127-109)79-23-21-25-81(67-79)101-74-100(78-47-53-86(54-48-78)130-121-63-57-89(133-115-41-13-5-31-95(115)96-32-6-14-42-116(96)133)71-105(121)106-72-90(58-64-122(106)130)134-117-43-15-7-33-97(117)98-34-8-16-44-118(98)134)102(82-26-22-24-80(68-82)84-50-60-110(128-76-84)124(136)108-36-18-20-66-126-108)73-99(101)77-45-51-85(52-46-77)129-119-61-55-87(131-111-37-9-1-27-91(111)92-28-2-10-38-112(92)131)69-103(119)104-70-88(56-62-120(104)129)132-113-39-11-3-29-93(113)94-30-4-12-40-114(94)132;1-5-25-55(26-6-1)79-85-80(56-27-7-2-8-28-56)88-83(87-79)63-37-21-33-59(49-63)71-53-74(62-36-24-40-66(52-62)92-77-47-19-15-43-69(77)70-44-16-20-48-78(70)92)72(54-73(71)61-35-23-39-65(51-61)91-75-45-17-13-41-67(75)68-42-14-18-46-76(68)91)60-34-22-38-64(50-60)84-89-81(57-29-9-3-10-30-57)86-82(90-84)58-31-11-4-12-32-58/h1-76H;1-54H
InChIKeyZEFVHHYDRSWKDL-UHFFFAOYSA-N
MW2913.45 g/mol
LogP51.23
Rot. Bonds28

About [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole

[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole (PubChem CID 162095868) has the molecular formula C208H130N18O2 and a molecular weight of 2913.45 g/mol. Its IUPAC name is [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole
PubChem CID162095868
Molecular FormulaC208H130N18O2
Molecular Weight2913.45 g/mol
Exact Mass2911.06
IUPAC Name[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole
SMILESO=C(c1ccccn1)c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c(-c4cccc(-c5ccc(C(=O)c6ccccn6)nc5)c4)cc3-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c2)cn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C124H76N10O2.C84H54N8/c135-123(107-35-17-19-65-125-107)109-59-49-83(75-127-109)79-23-21-25-81(67-79)101-74-100(78-47-53-86(54-48-78)130-121-63-57-89(133-115-41-13-5-31-95(115)96-32-6-14-42-116(96)133)71-105(121)106-72-90(58-64-122(106)130)134-117-43-15-7-33-97(117)98-34-8-16-44-118(98)134)102(82-26-22-24-80(68-82)84-50-60-110(128-76-84)124(136)108-36-18-20-66-126-108)73-99(101)77-45-51-85(52-46-77)129-119-61-55-87(131-111-37-9-1-27-91(111)92-28-2-10-38-112(92)131)69-103(119)104-70-88(56-62-120(104)129)132-113-39-11-3-29-93(113)94-30-4-12-40-114(94)132;1-5-25-55(26-6-1)79-85-80(56-27-7-2-8-28-56)88-83(87-79)63-37-21-33-59(49-63)71-53-74(62-36-24-40-66(52-62)92-77-47-19-15-43-69(77)70-44-16-20-48-78(70)92)72(54-73(71)61-35-23-39-65(51-61)91-75-45-17-13-41-67(75)68-42-14-18-46-76(68)91)60-34-22-38-64(50-60)84-89-81(57-29-9-3-10-30-57)86-82(90-84)58-31-11-4-12-32-58/h1-76H;1-54H
InChIKeyZEFVHHYDRSWKDL-UHFFFAOYSA-N
XLogP51.23
TPSA202.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002913.45
LogP ≤ 551.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 121475607
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
9-phenyl-22-(9-phenylcarbazol-3-yl)-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,10,12,14,16(29),17(28),18,20,23,25-pentadecaene
CID 138602693
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626

Frequently Asked Questions

What is the IUPAC name of [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole (CID 162095868) is [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole is O=C(c1ccccn1)c1ccc(-c2cccc(-c3cc(-c4ccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)c(-c4cccc(-c5ccc(C(=O)c6ccccn6)nc5)c4)cc3-c3ccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)c2)cn1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is ZEFVHHYDRSWKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H76N10O2.C84H54N8/c135-123(107-35-17-19-65-125-107)109-59-49-83(75-127-109)79-23-21-25-81(67-79)101-74-100(78-47-53-86(54-48-78)130-121-63-57-89(133-115-41-13-5-31-95(115)96-32-6-14-42-116(96)133)71-105(121)106-72-90(58-64-122(106)130)134-117-43-15-7-33-97(117)98-34-8-16-44-118(98)134)102(82-26-22-24-80(68-82)84-50-60-110(128-76-84)124(136)108-36-18-20-66-126-108)73-99(101)77-45-51-85(52-46-77)129-119-61-55-87(131-111-37-9-1-27-91(111)92-28-2-10-38-112(92)131)69-103(119)104-70-88(56-62-120(104)129)132-113-39-11-3-29-93(113)94-30-4-12-40-114(94)132;1-5-25-55(26-6-1)79-85-80(56-27-7-2-8-28-56)88-83(87-79)63-37-21-33-59(49-63)71-53-74(62-36-24-40-66(52-62)92-77-47-19-15-43-69(77)70-44-16-20-48-78(70)92)72(54-73(71)61-35-23-39-65(51-61)91-75-45-17-13-41-67(75)68-42-14-18-46-76(68)91)60-34-22-38-64(50-60)84-89-81(57-29-9-3-10-30-57)86-82(90-84)58-31-11-4-12-32-58/h1-76H;1-54H.
What are the key properties of [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole?
[5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 2913.45 g/mol, XLogP of 51.23, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[2,5-bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-[3-[6-(pyridine-2-carbonyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-pyridin-2-ylmethanone;9-[3-[4-(3-carbazol-9-ylphenyl)-2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 162095868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).