2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine

C156H114N12 — CID 134191442

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21
InChIInChI=1S/C156H114N12/c1-151(2)127-43-25-19-37-115(127)121-82-97(61-70-133(121)151)142-160-143(98-62-71-134-122(83-98)116-38-20-26-44-128(116)152(134,3)4)164-148(163-142)103-67-76-139(157-88-103)94-55-49-91(50-56-94)109-31-13-16-34-112(109)106-79-107(113-35-17-14-32-110(113)92-51-57-95(58-52-92)140-77-68-104(89-158-140)149-165-144(99-63-72-135-123(84-99)117-39-21-27-45-129(117)153(135,5)6)161-145(166-149)100-64-73-136-124(85-100)118-40-22-28-46-130(118)154(136,7)8)81-108(80-106)114-36-18-15-33-111(114)93-53-59-96(60-54-93)141-78-69-105(90-159-141)150-167-146(101-65-74-137-125(86-101)119-41-23-29-47-131(119)155(137,9)10)162-147(168-150)102-66-75-138-126(87-102)120-42-24-30-48-132(120)156(138,11)12/h13-90H,1-12H3
InChIKeyOIEHOUADULUEJT-UHFFFAOYSA-N
MW2156.71 g/mol
LogP38.27
Rot. Bonds18

About 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine

2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine (PubChem CID 134191442) has the molecular formula C156H114N12 and a molecular weight of 2156.71 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
PubChem CID134191442
Molecular FormulaC156H114N12
Molecular Weight2156.71 g/mol
Exact Mass2154.93
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21
InChIInChI=1S/C156H114N12/c1-151(2)127-43-25-19-37-115(127)121-82-97(61-70-133(121)151)142-160-143(98-62-71-134-122(83-98)116-38-20-26-44-128(116)152(134,3)4)164-148(163-142)103-67-76-139(157-88-103)94-55-49-91(50-56-94)109-31-13-16-34-112(109)106-79-107(113-35-17-14-32-110(113)92-51-57-95(58-52-92)140-77-68-104(89-158-140)149-165-144(99-63-72-135-123(84-99)117-39-21-27-45-129(117)153(135,5)6)161-145(166-149)100-64-73-136-124(85-100)118-40-22-28-46-130(118)154(136,7)8)81-108(80-106)114-36-18-15-33-111(114)93-53-59-96(60-54-93)141-78-69-105(90-159-141)150-167-146(101-65-74-137-125(86-101)119-41-23-29-47-131(119)155(137,9)10)162-147(168-150)102-66-75-138-126(87-102)120-42-24-30-48-132(120)156(138,11)12/h13-90H,1-12H3
InChIKeyOIEHOUADULUEJT-UHFFFAOYSA-N
XLogP38.27
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.71
LogP ≤ 538.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-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-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine (CID 134191442) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)nc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
The InChIKey is OIEHOUADULUEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H114N12/c1-151(2)127-43-25-19-37-115(127)121-82-97(61-70-133(121)151)142-160-143(98-62-71-134-122(83-98)116-38-20-26-44-128(116)152(134,3)4)164-148(163-142)103-67-76-139(157-88-103)94-55-49-91(50-56-94)109-31-13-16-34-112(109)106-79-107(113-35-17-14-32-110(113)92-51-57-95(58-52-92)140-77-68-104(89-158-140)149-165-144(99-63-72-135-123(84-99)117-39-21-27-45-129(117)153(135,5)6)161-145(166-149)100-64-73-136-124(85-100)118-40-22-28-46-130(118)154(136,7)8)81-108(80-106)114-36-18-15-33-111(114)93-53-59-96(60-54-93)141-78-69-105(90-159-141)150-167-146(101-65-74-137-125(86-101)119-41-23-29-47-131(119)155(137,9)10)162-147(168-150)102-66-75-138-126(87-102)120-42-24-30-48-132(120)156(138,11)12/h13-90H,1-12H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine has a molecular weight of 2156.71 g/mol, XLogP of 38.27, 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-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 134191442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).