2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C137H138N6 — CID 153438954

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cn5)cc4-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)C3)c(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)c2)c1
InChIInChI=1S/C137H138N6/c1-127(2,3)101-67-69-138-122(82-101)93-54-61-110(113(77-93)90-57-64-116-119(80-90)133(15,16)136(21,22)130(116,9)10)107-51-35-32-48-104(107)99-73-98(74-100(75-99)105-49-33-36-52-108(105)111-62-55-94(123-83-102(68-70-139-123)128(4,5)6)78-114(111)91-58-65-117-120(81-91)134(17,18)137(23,24)131(117,11)12)103-47-31-34-50-106(103)109-60-53-92(76-112(109)89-56-63-115-118(79-89)132(13,14)135(19,20)129(115,7)8)121-66-59-97(84-140-121)126-142-124(95-45-37-43-87(71-95)85-39-27-25-28-40-85)141-125(143-126)96-46-38-44-88(72-96)86-41-29-26-30-42-86/h25-72,76-84,98-100H,73-75H2,1-24H3
InChIKeyXGNXUOOKQGSYRJ-UHFFFAOYSA-N
MW1868.65 g/mol
LogP36.61
Rot. Bonds17

About 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 153438954) has the molecular formula C137H138N6 and a molecular weight of 1868.65 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID153438954
Molecular FormulaC137H138N6
Molecular Weight1868.65 g/mol
Exact Mass1867.10
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cn5)cc4-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)C3)c(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)c2)c1
InChIInChI=1S/C137H138N6/c1-127(2,3)101-67-69-138-122(82-101)93-54-61-110(113(77-93)90-57-64-116-119(80-90)133(15,16)136(21,22)130(116,9)10)107-51-35-32-48-104(107)99-73-98(74-100(75-99)105-49-33-36-52-108(105)111-62-55-94(123-83-102(68-70-139-123)128(4,5)6)78-114(111)91-58-65-117-120(81-91)134(17,18)137(23,24)131(117,11)12)103-47-31-34-50-106(103)109-60-53-92(76-112(109)89-56-63-115-118(79-89)132(13,14)135(19,20)129(115,7)8)121-66-59-97(84-140-121)126-142-124(95-45-37-43-87(71-95)85-39-27-25-28-40-85)141-125(143-126)96-46-38-44-88(72-96)86-41-29-26-30-42-86/h25-72,76-84,98-100H,73-75H2,1-24H3
InChIKeyXGNXUOOKQGSYRJ-UHFFFAOYSA-N
XLogP36.61
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001868.65
LogP ≤ 536.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
CID 153439025
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]-4-tert-butylphenyl]cyclohexyl]-5-tert-butylphenyl]-3-bromophenyl]-4-tert-butylpyridine
CID 153449021
2-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-3-pyridinyl]-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 130376269
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
2,5-bis[4-[2-[3,5-bis[4-tert-butyl-2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyrazine
CID 138744264
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-(3-bromobenzene-6-id-1-yl)-5-[2-[3-[2-[6-(3-bromobenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]-4-tert-butylphenyl]-5-[2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-4-phenylpyridine;iridium(3+)
CID 153439088
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 140826343
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
2-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[3-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 160899727

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 153438954) is 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cn5)cc4-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)CC(c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)C3)c(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)c2)c1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XGNXUOOKQGSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C137H138N6/c1-127(2,3)101-67-69-138-122(82-101)93-54-61-110(113(77-93)90-57-64-116-119(80-90)133(15,16)136(21,22)130(116,9)10)107-51-35-32-48-104(107)99-73-98(74-100(75-99)105-49-33-36-52-108(105)111-62-55-94(123-83-102(68-70-139-123)128(4,5)6)78-114(111)91-58-65-117-120(81-91)134(17,18)137(23,24)131(117,11)12)103-47-31-34-50-106(103)109-60-53-92(76-112(109)89-56-63-115-118(79-89)132(13,14)135(19,20)129(115,7)8)121-66-59-97(84-140-121)126-142-124(95-45-37-43-87(71-95)85-39-27-25-28-40-85)141-125(143-126)96-46-38-44-88(72-96)86-41-29-26-30-42-86/h25-72,76-84,98-100H,73-75H2,1-24H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1868.65 g/mol, XLogP of 36.61, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]phenyl]cyclohexyl]phenyl]-3-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153438954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).