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

C120H76N12O3 — CID 139352248

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

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine (PubChem CID 139352248) has the molecular formula C120H76N12O3 and a molecular weight of 1734.01 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine
• PubChem CID: 139352248
• Molecular Formula: C120H76N12O3
• Molecular Weight: 1734.01 g/mol
• Exact Mass: 1732.62
• IUPAC Name: 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine
• SMILES: C/C=C\c1oc2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-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)cccc2c1C
• InChI: InChI=1S/C120H76N12O3/c1-3-26-106-73(2)89-41-23-44-100(109(89)133-106)118-127-112(80-27-7-4-8-28-80)124-115(130-118)83-61-64-103(121-70-83)77-55-49-74(50-56-77)90-33-13-16-36-93(90)86-67-87(94-37-17-14-34-91(94)75-51-57-78(58-52-75)104-65-62-84(71-122-104)116-125-113(81-29-9-5-10-30-81)128-119(131-116)101-45-24-42-98-96-39-19-21-47-107(96)134-110(98)101)69-88(68-86)95-38-18-15-35-92(95)76-53-59-79(60-54-76)105-66-63-85(72-123-105)117-126-114(82-31-11-6-12-32-82)129-120(132-117)102-46-25-43-99-97-40-20-22-48-108(97)135-111(99)102/h3-72H,1-2H3/b26-3-
• InChIKey: AQNUUJQWXWHAFA-JZDBNNKSSA-N
• XLogP: 30.32
• TPSA: 194.10 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.01
LogP ≤ 5	30.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine (CID 139352248) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine is C/C=C\c1oc2c(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-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)cccc2c1C.

What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine?

The InChIKey is AQNUUJQWXWHAFA-JZDBNNKSSA-N. The full InChI is InChI=1S/C120H76N12O3/c1-3-26-106-73(2)89-41-23-44-100(109(89)133-106)118-127-112(80-27-7-4-8-28-80)124-115(130-118)83-61-64-103(121-70-83)77-55-49-74(50-56-77)90-33-13-16-36-93(90)86-67-87(94-37-17-14-34-91(94)75-51-57-78(58-52-75)104-65-62-84(71-122-104)116-125-113(81-29-9-5-10-30-81)128-119(131-116)101-45-24-42-98-96-39-19-21-47-107(96)134-110(98)101)69-88(68-86)95-38-18-15-35-92(95)76-53-59-79(60-54-76)105-66-63-85(72-123-105)117-126-114(82-31-11-6-12-32-82)129-120(132-117)102-46-25-43-99-97-40-20-22-48-108(97)135-111(99)102/h3-72H,1-2H3/b26-3-.

What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine?

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 1734.01 g/mol, XLogP of 30.32, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 139352248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).