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

C170H164N6 — CID 169036249

IUPAC4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine
SMILESCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cn7)cc6)c5)cc4)ncn3)cc2)c(-c2cc(-c3ccccc3-c3ccc(-c4cc(C)c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4cc(C)c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cn4)cc3)c2)c1
InChIInChI=1S/C170H164N6/c1-105-47-73-149(151(75-105)127-83-123(145-43-35-31-39-141(145)111-49-61-117(62-50-111)157-77-107(3)153(100-171-157)129-87-133(163(7,8)9)95-134(88-129)164(10,11)12)81-124(84-127)146-44-36-32-40-142(146)112-51-63-118(64-52-112)158-78-108(4)154(101-172-158)130-89-135(165(13,14)15)96-136(90-130)166(16,17)18)115-57-69-121(70-58-115)161-99-162(176-104-175-161)122-71-59-116(60-72-122)150-74-48-106(2)76-152(150)128-85-125(147-45-37-33-41-143(147)113-53-65-119(66-54-113)159-79-109(5)155(102-173-159)131-91-137(167(19,20)21)97-138(92-131)168(22,23)24)82-126(86-128)148-46-38-34-42-144(148)114-55-67-120(68-56-114)160-80-110(6)156(103-174-160)132-93-139(169(25,26)27)98-140(94-132)170(28,29)30/h31-104H,1-30H3
InChIKeyPZTWMYLZGOLVID-UHFFFAOYSA-N
MW2291.22 g/mol
LogP46.96
Rot. Bonds22

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

4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine (PubChem CID 169036249) has the molecular formula C170H164N6 and a molecular weight of 2291.22 g/mol. Its IUPAC name is 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine
PubChem CID169036249
Molecular FormulaC170H164N6
Molecular Weight2291.22 g/mol
Exact Mass2289.30
IUPAC Name4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine
SMILESCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cn7)cc6)c5)cc4)ncn3)cc2)c(-c2cc(-c3ccccc3-c3ccc(-c4cc(C)c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4cc(C)c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cn4)cc3)c2)c1
InChIInChI=1S/C170H164N6/c1-105-47-73-149(151(75-105)127-83-123(145-43-35-31-39-141(145)111-49-61-117(62-50-111)157-77-107(3)153(100-171-157)129-87-133(163(7,8)9)95-134(88-129)164(10,11)12)81-124(84-127)146-44-36-32-40-142(146)112-51-63-118(64-52-112)158-78-108(4)154(101-172-158)130-89-135(165(13,14)15)96-136(90-130)166(16,17)18)115-57-69-121(70-58-115)161-99-162(176-104-175-161)122-71-59-116(60-72-122)150-74-48-106(2)76-152(150)128-85-125(147-45-37-33-41-143(147)113-53-65-119(66-54-113)159-79-109(5)155(102-173-159)131-91-137(167(19,20)21)97-138(92-131)168(22,23)24)82-126(86-128)148-46-38-34-42-144(148)114-55-67-120(68-56-114)160-80-110(6)156(103-174-160)132-93-139(169(25,26)27)98-140(94-132)170(28,29)30/h31-104H,1-30H3
InChIKeyPZTWMYLZGOLVID-UHFFFAOYSA-N
XLogP46.96
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002291.22
LogP ≤ 546.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
CID 140838831
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
2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
CID 142521070
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
CID 161384544
CID 161384544
4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 134313268
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
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine?
The IUPAC name of 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine (CID 169036249) is 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine is Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C)cc5-c5cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cn7)cc6)cc(-c6ccccc6-c6ccc(-c7cc(C)c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cn7)cc6)c5)cc4)ncn3)cc2)c(-c2cc(-c3ccccc3-c3ccc(-c4cc(C)c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cn4)cc3)cc(-c3ccccc3-c3ccc(-c4cc(C)c(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cn4)cc3)c2)c1.
What is the InChIKey of 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine?
The InChIKey is PZTWMYLZGOLVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H164N6/c1-105-47-73-149(151(75-105)127-83-123(145-43-35-31-39-141(145)111-49-61-117(62-50-111)157-77-107(3)153(100-171-157)129-87-133(163(7,8)9)95-134(88-129)164(10,11)12)81-124(84-127)146-44-36-32-40-142(146)112-51-63-118(64-52-112)158-78-108(4)154(101-172-158)130-89-135(165(13,14)15)96-136(90-130)166(16,17)18)115-57-69-121(70-58-115)161-99-162(176-104-175-161)122-71-59-116(60-72-122)150-74-48-106(2)76-152(150)128-85-125(147-45-37-33-41-143(147)113-53-65-119(66-54-113)159-79-109(5)155(102-173-159)131-91-137(167(19,20)21)97-138(92-131)168(22,23)24)82-126(86-128)148-46-38-34-42-144(148)114-55-67-120(68-56-114)160-80-110(6)156(103-174-160)132-93-139(169(25,26)27)98-140(94-132)170(28,29)30/h31-104H,1-30H3.
What are the key properties of 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine?
4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine has a molecular weight of 2291.22 g/mol, XLogP of 46.96, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-[2-[3,5-bis[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-4-methylphenyl]phenyl]pyrimidine is sourced from PubChem (CID 169036249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).