9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole

C124H78N16 — CID 163931236

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3ccncc3-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)cc6c7cc(-c8ccccc8)ccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c(-c8ccncc8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c56)c4)n3)c2)cc1
InChIInChI=1S/C124H78N16/c1-11-34-79(35-12-1)89-58-64-110-104(71-89)98-56-31-32-57-109(98)139(110)94-60-62-99(121-131-113(82-40-17-4-18-41-82)127-114(132-121)83-42-19-5-20-43-83)102(75-94)96-66-68-126-78-108(96)124-137-119(88-52-29-10-30-53-88)130-120(138-124)92-55-33-54-91(70-92)101-73-93(81-38-15-3-16-39-81)74-106-105-72-90(80-36-13-2-14-37-80)59-65-111(105)140(112(101)106)95-61-63-100(122-133-115(84-44-21-6-22-45-84)128-116(134-122)85-46-23-7-24-47-85)103(76-95)97-67-69-125-77-107(97)123-135-117(86-48-25-8-26-49-86)129-118(136-123)87-50-27-9-28-51-87/h1-78H
InChIKeyRIVQBMHSTOIPPL-UHFFFAOYSA-N
MW1792.10 g/mol
LogP29.42
Rot. Bonds20

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole (PubChem CID 163931236) has the molecular formula C124H78N16 and a molecular weight of 1792.10 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole
PubChem CID163931236
Molecular FormulaC124H78N16
Molecular Weight1792.10 g/mol
Exact Mass1790.66
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3ccncc3-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)cc6c7cc(-c8ccccc8)ccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c(-c8ccncc8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c56)c4)n3)c2)cc1
InChIInChI=1S/C124H78N16/c1-11-34-79(35-12-1)89-58-64-110-104(71-89)98-56-31-32-57-109(98)139(110)94-60-62-99(121-131-113(82-40-17-4-18-41-82)127-114(132-121)83-42-19-5-20-43-83)102(75-94)96-66-68-126-78-108(96)124-137-119(88-52-29-10-30-53-88)130-120(138-124)92-55-33-54-91(70-92)101-73-93(81-38-15-3-16-39-81)74-106-105-72-90(80-36-13-2-14-37-80)59-65-111(105)140(112(101)106)95-61-63-100(122-133-115(84-44-21-6-22-45-84)128-116(134-122)85-46-23-7-24-47-85)103(76-95)97-67-69-125-77-107(97)123-135-117(86-48-25-8-26-49-86)129-118(136-123)87-50-27-9-28-51-87/h1-78H
InChIKeyRIVQBMHSTOIPPL-UHFFFAOYSA-N
XLogP29.42
TPSA190.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.10
LogP ≤ 529.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 162500533
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(3-phenylcarbazol-9-yl)carbazole
CID 121382492
5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 147103231
9-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 146896773
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-3,6-diphenylcarbazole
CID 142560205
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
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
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-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 162573799
3-(2,4-dimethylphenyl)-9-[3-[5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole;3-(3,5-dimethylphenyl)-9-[3-[5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159815847

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole (CID 163931236) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3ccncc3-c3nc(-c4ccccc4)nc(-c4cccc(-c5cc(-c6ccccc6)cc6c7cc(-c8ccccc8)ccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c(-c8ccncc8-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c56)c4)n3)c2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is RIVQBMHSTOIPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H78N16/c1-11-34-79(35-12-1)89-58-64-110-104(71-89)98-56-31-32-57-109(98)139(110)94-60-62-99(121-131-113(82-40-17-4-18-41-82)127-114(132-121)83-42-19-5-20-43-83)102(75-94)96-66-68-126-78-108(96)124-137-119(88-52-29-10-30-53-88)130-120(138-124)92-55-33-54-91(70-92)101-73-93(81-38-15-3-16-39-81)74-106-105-72-90(80-36-13-2-14-37-80)59-65-111(105)140(112(101)106)95-61-63-100(122-133-115(84-44-21-6-22-45-84)128-116(134-122)85-46-23-7-24-47-85)103(76-95)97-67-69-125-77-107(97)123-135-117(86-48-25-8-26-49-86)129-118(136-123)87-50-27-9-28-51-87/h1-78H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 1792.10 g/mol, XLogP of 29.42, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 163931236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).