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

C126H78N12 — CID 134191440

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cn3)cc2)c1
InChIInChI=1S/C126H78N12/c1-7-25-91-67-97(55-37-79(91)19-1)118-130-119(98-56-38-80-20-2-8-26-92(80)68-98)134-124(133-118)103-61-64-115(127-76-103)88-49-43-85(44-50-88)109-31-13-16-34-112(109)106-73-107(113-35-17-14-32-110(113)86-45-51-89(52-46-86)116-65-62-104(77-128-116)125-135-120(99-57-39-81-21-3-9-27-93(81)69-99)131-121(136-125)100-58-40-82-22-4-10-28-94(82)70-100)75-108(74-106)114-36-18-15-33-111(114)87-47-53-90(54-48-87)117-66-63-105(78-129-117)126-137-122(101-59-41-83-23-5-11-29-95(83)71-101)132-123(138-126)102-60-42-84-24-6-12-30-96(84)72-102/h1-78H
InChIKeyFOOMUNLSZNJPRK-UHFFFAOYSA-N
MW1760.09 g/mol
LogP31.35
Rot. Bonds18

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

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 134191440) 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-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID134191440
Molecular FormulaC126H78N12
Molecular Weight1760.09 g/mol
Exact Mass1758.65
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cn3)cc2)c1
InChIInChI=1S/C126H78N12/c1-7-25-91-67-97(55-37-79(91)19-1)118-130-119(98-56-38-80-20-2-8-26-92(80)68-98)134-124(133-118)103-61-64-115(127-76-103)88-49-43-85(44-50-88)109-31-13-16-34-112(109)106-73-107(113-35-17-14-32-110(113)86-45-51-89(52-46-86)116-65-62-104(77-128-116)125-135-120(99-57-39-81-21-3-9-27-93(81)69-99)131-121(136-125)100-58-40-82-22-4-10-28-94(82)70-100)75-108(74-106)114-36-18-15-33-111(114)87-47-53-90(54-48-87)117-66-63-105(78-129-117)126-137-122(101-59-41-83-23-5-11-29-95(83)71-101)132-123(138-126)102-60-42-84-24-6-12-30-96(84)72-102/h1-78H
InChIKeyFOOMUNLSZNJPRK-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-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-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-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 134191440) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)cn4)cc3)c2)c(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cn3)cc2)c1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is FOOMUNLSZNJPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H78N12/c1-7-25-91-67-97(55-37-79(91)19-1)118-130-119(98-56-38-80-20-2-8-26-92(80)68-98)134-124(133-118)103-61-64-115(127-76-103)88-49-43-85(44-50-88)109-31-13-16-34-112(109)106-73-107(113-35-17-14-32-110(113)86-45-51-89(52-46-86)116-65-62-104(77-128-116)125-135-120(99-57-39-81-21-3-9-27-93(81)69-99)131-121(136-125)100-58-40-82-22-4-10-28-94(82)70-100)75-108(74-106)114-36-18-15-33-111(114)87-47-53-90(54-48-87)117-66-63-105(78-129-117)126-137-122(101-59-41-83-23-5-11-29-95(83)71-101)132-123(138-126)102-60-42-84-24-6-12-30-96(84)72-102/h1-78H.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-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-2-yl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 134191440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).