2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

C124H88N6 — CID 153434753

IUPAC2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cc(C)c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cn6)cc5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])cn8)cc7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)cc3)cc2C)c([2H])c1[2H]
InChIInChI=1S/C124H88N6/c1-81-67-119(127-77-115(81)85-27-9-5-10-28-85)93-53-45-89(46-54-93)105-35-17-21-39-109(105)99-71-100(110-40-22-18-36-106(110)90-47-55-94(56-48-90)120-68-82(2)116(78-128-120)86-29-11-6-12-30-86)74-103(73-99)113-43-25-44-114(123(113)97-61-63-98(64-62-97)124-125-65-26-66-126-124)104-75-101(111-41-23-19-37-107(111)91-49-57-95(58-50-91)121-69-83(3)117(79-129-121)87-31-13-7-14-32-87)72-102(76-104)112-42-24-20-38-108(112)92-51-59-96(60-52-92)122-70-84(4)118(80-130-122)88-33-15-8-16-34-88/h5-80H,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,27D,28D,29D,30D,31D,32D,33D,34D
InChIKeyNPUVIXPNNIXVCK-LFTVZTJTSA-N
MW1682.23 g/mol
LogP32.63
Rot. Bonds20

About 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 153434753) has the molecular formula C124H88N6 and a molecular weight of 1682.23 g/mol. Its IUPAC name is 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID153434753
Molecular FormulaC124H88N6
Molecular Weight1682.23 g/mol
Exact Mass1680.83
IUPAC Name2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cc(C)c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cn6)cc5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])cn8)cc7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)cc3)cc2C)c([2H])c1[2H]
InChIInChI=1S/C124H88N6/c1-81-67-119(127-77-115(81)85-27-9-5-10-28-85)93-53-45-89(46-54-93)105-35-17-21-39-109(105)99-71-100(110-40-22-18-36-106(110)90-47-55-94(56-48-90)120-68-82(2)116(78-128-120)86-29-11-6-12-30-86)74-103(73-99)113-43-25-44-114(123(113)97-61-63-98(64-62-97)124-125-65-26-66-126-124)104-75-101(111-41-23-19-37-107(111)91-49-57-95(58-50-91)121-69-83(3)117(79-129-121)87-31-13-7-14-32-87)72-102(76-104)112-42-24-20-38-108(112)92-51-59-96(60-52-92)122-70-84(4)118(80-130-122)88-33-15-8-16-34-88/h5-80H,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,27D,28D,29D,30D,31D,32D,33D,34D
InChIKeyNPUVIXPNNIXVCK-LFTVZTJTSA-N
XLogP32.63
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.23
LogP ≤ 532.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134225954
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(3-phenylphenyl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))
CID 153434642
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
CID 142521070
4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 140838998
2-[5-[3,5-bis(6-pyrimidin-2-yl-3-pyridinyl)phenyl]-4-methyl-2-pyridinyl]pyrimidine
CID 148814308
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
2-(4-chlorophenyl)-4-methyl-5-pyridin-2-ylpyridine
CID 23550256
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
3-[4-[2-[3,5-bis[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-7-[2-[3-[2-[2-[3-(3,5-diphenylphenyl)phenyl]-4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-9H-pyrimido[6,1-a]isoindol-10-ium
CID 168768039

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 153434753) is 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is [2H]c1c([2H])c([2H])c(-c2cnc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cc(C)c(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cn6)cc5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9c([2H])c([2H])c([2H])c([2H])c9[2H])cn8)cc7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)cc3)cc2C)c([2H])c1[2H].
What is the InChIKey of 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is NPUVIXPNNIXVCK-LFTVZTJTSA-N. The full InChI is InChI=1S/C124H88N6/c1-81-67-119(127-77-115(81)85-27-9-5-10-28-85)93-53-45-89(46-54-93)105-35-17-21-39-109(105)99-71-100(110-40-22-18-36-106(110)90-47-55-94(56-48-90)120-68-82(2)116(78-128-120)86-29-11-6-12-30-86)74-103(73-99)113-43-25-44-114(123(113)97-61-63-98(64-62-97)124-125-65-26-66-126-124)104-75-101(111-41-23-19-37-107(111)91-49-57-95(58-50-91)121-69-83(3)117(79-129-121)87-31-13-7-14-32-87)72-102(76-104)112-42-24-20-38-108(112)92-51-59-96(60-52-92)122-70-84(4)118(80-130-122)88-33-15-8-16-34-88/h5-80H,1-4H3/i5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,27D,28D,29D,30D,31D,32D,33D,34D.
What are the key properties of 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 1682.23 g/mol, XLogP of 32.63, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis[3,5-bis[2-[4-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 153434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).