2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine

C121H78N12O3 — CID 139352249

IUPAC2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
SMILESC=Cc1c(/C=C\C)oc2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(C9=NC(c%10ccccc%10)NC(c%10cccc%11c%10oc%10ccccc%10%11)=N9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10oc%10ccccc%10%11)n9)cn8)cc7)c6)cc5)nc4)n3)cccc12
InChIInChI=1S/C121H78N12O3/c1-3-27-107-89(4-2)98-42-24-45-101(110(98)134-107)119-128-113(80-28-8-5-9-29-80)125-116(131-119)83-62-65-104(122-71-83)77-56-50-74(51-57-77)90-34-14-17-37-93(90)86-68-87(94-38-18-15-35-91(94)75-52-58-78(59-53-75)105-66-63-84(72-123-105)117-126-114(81-30-10-6-11-31-81)129-120(132-117)102-46-25-43-99-96-40-20-22-48-108(96)135-111(99)102)70-88(69-86)95-39-19-16-36-92(95)76-54-60-79(61-55-76)106-67-64-85(73-124-106)118-127-115(82-32-12-7-13-33-82)130-121(133-118)103-47-26-44-100-97-41-21-23-49-109(97)136-112(100)103/h3-73,114H,2H2,1H3,(H,126,129,132)/b27-3-
InChIKeyLKVQGNYNSPFVRA-MWCIZMGKSA-N
MW1748.04 g/mol
LogP29.96
Rot. Bonds20

About 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine (PubChem CID 139352249) has the molecular formula C121H78N12O3 and a molecular weight of 1748.04 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
PubChem CID139352249
Molecular FormulaC121H78N12O3
Molecular Weight1748.04 g/mol
Exact Mass1746.63
IUPAC Name2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
SMILESC=Cc1c(/C=C\C)oc2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(C9=NC(c%10ccccc%10)NC(c%10cccc%11c%10oc%10ccccc%10%11)=N9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10oc%10ccccc%10%11)n9)cn8)cc7)c6)cc5)nc4)n3)cccc12
InChIInChI=1S/C121H78N12O3/c1-3-27-107-89(4-2)98-42-24-45-101(110(98)134-107)119-128-113(80-28-8-5-9-29-80)125-116(131-119)83-62-65-104(122-71-83)77-56-50-74(51-57-77)90-34-14-17-37-93(90)86-68-87(94-38-18-15-35-91(94)75-52-58-78(59-53-75)105-66-63-84(72-123-105)117-126-114(81-30-10-6-11-31-81)129-120(132-117)102-46-25-43-99-96-40-20-22-48-108(96)135-111(99)102)70-88(69-86)95-39-19-16-36-92(95)76-54-60-79(61-55-76)106-67-64-85(73-124-106)118-127-115(82-32-12-7-13-33-82)130-121(133-118)103-47-26-44-100-97-41-21-23-49-109(97)136-112(100)103/h3-73,114H,2H2,1H3,(H,126,129,132)/b27-3-
InChIKeyLKVQGNYNSPFVRA-MWCIZMGKSA-N
XLogP29.96
TPSA192.18 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.04
LogP ≤ 529.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 142313941
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane
CID 142568428
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine (CID 139352249) is 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine is C=Cc1c(/C=C\C)oc2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(C9=NC(c%10ccccc%10)NC(c%10cccc%11c%10oc%10ccccc%10%11)=N9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11c%10oc%10ccccc%10%11)n9)cn8)cc7)c6)cc5)nc4)n3)cccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?
The InChIKey is LKVQGNYNSPFVRA-MWCIZMGKSA-N. The full InChI is InChI=1S/C121H78N12O3/c1-3-27-107-89(4-2)98-42-24-45-101(110(98)134-107)119-128-113(80-28-8-5-9-29-80)125-116(131-119)83-62-65-104(122-71-83)77-56-50-74(51-57-77)90-34-14-17-37-93(90)86-68-87(94-38-18-15-35-91(94)75-52-58-78(59-53-75)105-66-63-84(72-123-105)117-126-114(81-30-10-6-11-31-81)129-120(132-117)102-46-25-43-99-96-40-20-22-48-108(96)135-111(99)102)70-88(69-86)95-39-19-16-36-92(95)76-54-60-79(61-55-76)106-67-64-85(73-124-106)118-127-115(82-32-12-7-13-33-82)130-121(133-118)103-47-26-44-100-97-41-21-23-49-109(97)136-112(100)103/h3-73,114H,2H2,1H3,(H,126,129,132)/b27-3-.
What are the key properties of 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1748.04 g/mol, XLogP of 29.96, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 139352249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).