2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine

C138H78N12O6 — CID 134191457

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cn3)cc2)c1
InChIInChI=1S/C138H78N12O6/c1-4-28-94(91(25-1)79-55-61-82(62-56-79)115-70-67-85(76-139-115)130-142-133(109-43-19-37-103-97-31-7-13-49-118(97)151-124(103)109)148-134(143-130)110-44-20-38-104-98-32-8-14-50-119(98)152-125(104)110)88-73-89(95-29-5-2-26-92(95)80-57-63-83(64-58-80)116-71-68-86(77-140-116)131-144-135(111-45-21-39-105-99-33-9-15-51-120(99)153-126(105)111)149-136(145-131)112-46-22-40-106-100-34-10-16-52-121(100)154-127(106)112)75-90(74-88)96-30-6-3-27-93(96)81-59-65-84(66-60-81)117-72-69-87(78-141-117)132-146-137(113-47-23-41-107-101-35-11-17-53-122(101)155-128(107)113)150-138(147-132)114-48-24-42-108-102-36-12-18-54-123(102)156-129(108)114/h1-78H
InChIKeyQISYUSMMRBRWDI-UHFFFAOYSA-N
MW2000.22 g/mol
LogP35.83
Rot. Bonds18

About 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine

2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine (PubChem CID 134191457) has the molecular formula C138H78N12O6 and a molecular weight of 2000.22 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
PubChem CID134191457
Molecular FormulaC138H78N12O6
Molecular Weight2000.22 g/mol
Exact Mass1998.62
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cn3)cc2)c1
InChIInChI=1S/C138H78N12O6/c1-4-28-94(91(25-1)79-55-61-82(62-56-79)115-70-67-85(76-139-115)130-142-133(109-43-19-37-103-97-31-7-13-49-118(97)151-124(103)109)148-134(143-130)110-44-20-38-104-98-32-8-14-50-119(98)152-125(104)110)88-73-89(95-29-5-2-26-92(95)80-57-63-83(64-58-80)116-71-68-86(77-140-116)131-144-135(111-45-21-39-105-99-33-9-15-51-120(99)153-126(105)111)149-136(145-131)112-46-22-40-106-100-34-10-16-52-121(100)154-127(106)112)75-90(74-88)96-30-6-3-27-93(96)81-59-65-84(66-60-81)117-72-69-87(78-141-117)132-146-137(113-47-23-41-107-101-35-11-17-53-122(101)155-128(107)113)150-138(147-132)114-48-24-42-108-102-36-12-18-54-123(102)156-129(108)114/h1-78H
InChIKeyQISYUSMMRBRWDI-UHFFFAOYSA-N
XLogP35.83
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.22
LogP ≤ 535.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine (CID 134191457) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)cn3)cc2)c1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
The InChIKey is QISYUSMMRBRWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H78N12O6/c1-4-28-94(91(25-1)79-55-61-82(62-56-79)115-70-67-85(76-139-115)130-142-133(109-43-19-37-103-97-31-7-13-49-118(97)151-124(103)109)148-134(143-130)110-44-20-38-104-98-32-8-14-50-119(98)152-125(104)110)88-73-89(95-29-5-2-26-92(95)80-57-63-83(64-58-80)116-71-68-86(77-140-116)131-144-135(111-45-21-39-105-99-33-9-15-51-120(99)153-126(105)111)149-136(145-131)112-46-22-40-106-100-34-10-16-52-121(100)154-127(106)112)75-90(74-88)96-30-6-3-27-93(96)81-59-65-84(66-60-81)117-72-69-87(78-141-117)132-146-137(113-47-23-41-107-101-35-11-17-53-122(101)155-128(107)113)150-138(147-132)114-48-24-42-108-102-36-12-18-54-123(102)156-129(108)114/h1-78H.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine has a molecular weight of 2000.22 g/mol, XLogP of 35.83, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 134191457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).