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

C144H138N12 — CID 134191447

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine
SMILESCC1(C)CC(C)(C)c2cc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)CC5(C)C)n3)ccc21
InChIInChI=1S/C144H138N12/c1-133(2)79-139(13,14)115-70-91(49-58-109(115)133)124-148-125(92-50-59-110-116(71-92)140(15,16)80-134(110,3)4)152-130(151-124)97-55-64-121(145-76-97)88-43-37-85(38-44-88)103-31-25-28-34-106(103)100-67-101(107-35-29-26-32-104(107)86-39-45-89(46-40-86)122-65-56-98(77-146-122)131-153-126(93-51-60-111-117(72-93)141(17,18)81-135(111,5)6)149-127(154-131)94-52-61-112-118(73-94)142(19,20)82-136(112,7)8)69-102(68-100)108-36-30-27-33-105(108)87-41-47-90(48-42-87)123-66-57-99(78-147-123)132-155-128(95-53-62-113-119(74-95)143(21,22)83-137(113,9)10)150-129(156-132)96-54-63-114-120(75-96)144(23,24)84-138(114,11)12/h25-78H,79-84H2,1-24H3
InChIKeyCUBKVCKRZHDLMP-UHFFFAOYSA-N
MW2036.77 g/mol
LogP36.19
Rot. Bonds18

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

2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine (PubChem CID 134191447) has the molecular formula C144H138N12 and a molecular weight of 2036.77 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine
PubChem CID134191447
Molecular FormulaC144H138N12
Molecular Weight2036.77 g/mol
Exact Mass2035.12
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine
SMILESCC1(C)CC(C)(C)c2cc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)CC5(C)C)n3)ccc21
InChIInChI=1S/C144H138N12/c1-133(2)79-139(13,14)115-70-91(49-58-109(115)133)124-148-125(92-50-59-110-116(71-92)140(15,16)80-134(110,3)4)152-130(151-124)97-55-64-121(145-76-97)88-43-37-85(38-44-88)103-31-25-28-34-106(103)100-67-101(107-35-29-26-32-104(107)86-39-45-89(46-40-86)122-65-56-98(77-146-122)131-153-126(93-51-60-111-117(72-93)141(17,18)81-135(111,5)6)149-127(154-131)94-52-61-112-118(73-94)142(19,20)82-136(112,7)8)69-102(68-100)108-36-30-27-33-105(108)87-41-47-90(48-42-87)123-66-57-99(78-147-123)132-155-128(95-53-62-113-119(74-95)143(21,22)83-137(113,9)10)150-129(156-132)96-54-63-114-120(75-96)144(23,24)84-138(114,11)12/h25-78H,79-84H2,1-24H3
InChIKeyCUBKVCKRZHDLMP-UHFFFAOYSA-N
XLogP36.19
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002036.77
LogP ≤ 536.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-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(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine (CID 134191447) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-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(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine is CC1(C)CC(C)(C)c2cc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)CC%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)CC5(C)C)n3)ccc21.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine?
The InChIKey is CUBKVCKRZHDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H138N12/c1-133(2)79-139(13,14)115-70-91(49-58-109(115)133)124-148-125(92-50-59-110-116(71-92)140(15,16)80-134(110,3)4)152-130(151-124)97-55-64-121(145-76-97)88-43-37-85(38-44-88)103-31-25-28-34-106(103)100-67-101(107-35-29-26-32-104(107)86-39-45-89(46-40-86)122-65-56-98(77-146-122)131-153-126(93-51-60-111-117(72-93)141(17,18)81-135(111,5)6)149-127(154-131)94-52-61-112-118(73-94)142(19,20)82-136(112,7)8)69-102(68-100)108-36-30-27-33-105(108)87-41-47-90(48-42-87)123-66-57-99(78-147-123)132-155-128(95-53-62-113-119(74-95)143(21,22)83-137(113,9)10)150-129(156-132)96-54-63-114-120(75-96)144(23,24)84-138(114,11)12/h25-78H,79-84H2,1-24H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine has a molecular weight of 2036.77 g/mol, XLogP of 36.19, 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(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazine is sourced from PubChem (CID 134191447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).