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

C126H78N12 — CID 134191441

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cn3)cc2)c1
InChIInChI=1S/C126H78N12/c1-7-40-100-79(25-1)31-19-49-109(100)121-130-118(131-122(136-121)110-50-20-32-80-26-2-8-41-101(80)110)91-67-70-115(127-76-91)88-61-55-85(56-62-88)97-37-13-16-46-106(97)94-73-95(107-47-17-14-38-98(107)86-57-63-89(64-58-86)116-71-68-92(77-128-116)119-132-123(111-51-21-33-81-27-3-9-42-102(81)111)137-124(133-119)112-52-22-34-82-28-4-10-43-103(82)112)75-96(74-94)108-48-18-15-39-99(108)87-59-65-90(66-60-87)117-72-69-93(78-129-117)120-134-125(113-53-23-35-83-29-5-11-44-104(83)113)138-126(135-120)114-54-24-36-84-30-6-12-45-105(84)114/h1-78H
InChIKeyLSJAEGIUZDWDLH-UHFFFAOYSA-N
MW1760.09 g/mol
LogP31.35
Rot. Bonds18

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

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 134191441) has the molecular formula C126H78N12 and a molecular weight of 1760.09 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID134191441
Molecular FormulaC126H78N12
Molecular Weight1760.09 g/mol
Exact Mass1758.65
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cn3)cc2)c1
InChIInChI=1S/C126H78N12/c1-7-40-100-79(25-1)31-19-49-109(100)121-130-118(131-122(136-121)110-50-20-32-80-26-2-8-41-101(80)110)91-67-70-115(127-76-91)88-61-55-85(56-62-88)97-37-13-16-46-106(97)94-73-95(107-47-17-14-38-98(107)86-57-63-89(64-58-86)116-71-68-92(77-128-116)119-132-123(111-51-21-33-81-27-3-9-42-102(81)111)137-124(133-119)112-52-22-34-82-28-4-10-43-103(82)112)75-96(74-94)108-48-18-15-39-99(108)87-59-65-90(66-60-87)117-72-69-93(78-129-117)120-134-125(113-53-23-35-83-29-5-11-44-104(83)113)138-126(135-120)114-54-24-36-84-30-6-12-45-105(84)114/h1-78H
InChIKeyLSJAEGIUZDWDLH-UHFFFAOYSA-N
XLogP31.35
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.09
LogP ≤ 531.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-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-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 134191441) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cn3)cc2)c1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is LSJAEGIUZDWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H78N12/c1-7-40-100-79(25-1)31-19-49-109(100)121-130-118(131-122(136-121)110-50-20-32-80-26-2-8-41-101(80)110)91-67-70-115(127-76-91)88-61-55-85(56-62-88)97-37-13-16-46-106(97)94-73-95(107-47-17-14-38-98(107)86-57-63-89(64-58-86)116-71-68-92(77-128-116)119-132-123(111-51-21-33-81-27-3-9-42-102(81)111)137-124(133-119)112-52-22-34-82-28-4-10-43-103(82)112)75-96(74-94)108-48-18-15-39-99(108)87-59-65-90(66-60-87)117-72-69-93(78-129-117)120-134-125(113-53-23-35-83-29-5-11-44-104(83)113)138-126(135-120)114-54-24-36-84-30-6-12-45-105(84)114/h1-78H.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine has a molecular weight of 1760.09 g/mol, XLogP of 31.35, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 134191441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).