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

C156H162N12 — CID 134191448

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C156H162N12/c1-139(2)115-70-61-97(82-121(115)145(13,14)151(139,25)26)130-160-131(98-62-71-116-122(83-98)146(15,16)152(27,28)140(116,3)4)164-136(163-130)103-67-76-127(157-88-103)94-55-49-91(50-56-94)109-43-37-40-46-112(109)106-79-107(113-47-41-38-44-110(113)92-51-57-95(58-52-92)128-77-68-104(89-158-128)137-165-132(99-63-72-117-123(84-99)147(17,18)153(29,30)141(117,5)6)161-133(166-137)100-64-73-118-124(85-100)148(19,20)154(31,32)142(118,7)8)81-108(80-106)114-48-42-39-45-111(114)93-53-59-96(60-54-93)129-78-69-105(90-159-129)138-167-134(101-65-74-119-125(86-101)149(21,22)155(33,34)143(119,9)10)162-135(168-138)102-66-75-120-126(87-102)150(23,24)156(35,36)144(120,11)12/h37-90H,1-36H3
InChIKeyKDTULYUKXVPGBF-UHFFFAOYSA-N
MW2205.10 g/mol
LogP40.00
Rot. Bonds18

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

2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine (PubChem CID 134191448) has the molecular formula C156H162N12 and a molecular weight of 2205.10 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine
PubChem CID134191448
Molecular FormulaC156H162N12
Molecular Weight2205.10 g/mol
Exact Mass2203.30
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C156H162N12/c1-139(2)115-70-61-97(82-121(115)145(13,14)151(139,25)26)130-160-131(98-62-71-116-122(83-98)146(15,16)152(27,28)140(116,3)4)164-136(163-130)103-67-76-127(157-88-103)94-55-49-91(50-56-94)109-43-37-40-46-112(109)106-79-107(113-47-41-38-44-110(113)92-51-57-95(58-52-92)128-77-68-104(89-158-128)137-165-132(99-63-72-117-123(84-99)147(17,18)153(29,30)141(117,5)6)161-133(166-137)100-64-73-118-124(85-100)148(19,20)154(31,32)142(118,7)8)81-108(80-106)114-48-42-39-45-111(114)93-53-59-96(60-54-93)129-78-69-105(90-159-129)138-167-134(101-65-74-119-125(86-101)149(21,22)155(33,34)143(119,9)10)162-135(168-138)102-66-75-120-126(87-102)150(23,24)156(35,36)144(120,11)12/h37-90H,1-36H3
InChIKeyKDTULYUKXVPGBF-UHFFFAOYSA-N
XLogP40.00
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.10
LogP ≤ 540.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-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(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine (CID 134191448) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine is CC1(C)c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)n3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine?
The InChIKey is KDTULYUKXVPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H162N12/c1-139(2)115-70-61-97(82-121(115)145(13,14)151(139,25)26)130-160-131(98-62-71-116-122(83-98)146(15,16)152(27,28)140(116,3)4)164-136(163-130)103-67-76-127(157-88-103)94-55-49-91(50-56-94)109-43-37-40-46-112(109)106-79-107(113-47-41-38-44-110(113)92-51-57-95(58-52-92)128-77-68-104(89-158-128)137-165-132(99-63-72-117-123(84-99)147(17,18)153(29,30)141(117,5)6)161-133(166-137)100-64-73-118-124(85-100)148(19,20)154(31,32)142(118,7)8)81-108(80-106)114-48-42-39-45-111(114)93-53-59-96(60-54-93)129-78-69-105(90-159-129)138-167-134(101-65-74-119-125(86-101)149(21,22)155(33,34)143(119,9)10)162-135(168-138)102-66-75-120-126(87-102)150(23,24)156(35,36)144(120,11)12/h37-90H,1-36H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine has a molecular weight of 2205.10 g/mol, XLogP of 40.00, 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(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazine is sourced from PubChem (CID 134191448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).