5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine

C139H153N21 — CID 123885394

IUPAC5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine
SMILESCc1ccc(N(c2nc3c4ccc(C(C)C)cc4nc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(C)CCc5ccc(N(c6nc7c8ccc(C(C)(C)C)cc8nc(C(C)(C)C)n7c6C)c6nc7c8ccc(C(C)(C)CCc9cc(C)c(N(c%10nc%11c%12ccc(-c%13ccccc%13)cc%12nc(C(C)(C)C)n%11c%10C)c%10nc%11c%12ccc(-c%13ccccc%13)cc%12nc(C(C)(C)C)n%11c%10C)c(C)c9)cc8nc(C(C)(C)C)n7c6C)cc5)cc4nc(C(C)(C)C)n3c2C)cc1
InChIInChI=1S/C139H153N21/c1-78(2)93-52-62-101-107(72-93)140-126(133(16,17)18)152-83(7)114(146-120(101)152)158(99-58-46-79(3)47-59-99)115-84(8)153-121(147-115)102-63-53-94(73-108(102)141-127(153)134(19,20)21)80(4)48-49-89-50-60-100(61-51-89)159(116-85(9)154-124(148-116)105-66-56-97(132(13,14)15)76-111(105)144-130(154)137(28,29)30)117-86(10)155-125(149-117)106-67-57-98(77-112(106)145-131(155)138(31,32)33)139(34,35)69-68-90-70-81(5)113(82(6)71-90)160(118-87(11)156-122(150-118)103-64-54-95(91-42-38-36-39-43-91)74-109(103)142-128(156)135(22,23)24)119-88(12)157-123(151-119)104-65-55-96(92-44-40-37-41-45-92)75-110(104)143-129(157)136(25,26)27/h36-47,50-67,70-78,80H,48-49,68-69H2,1-35H3
InChIKeyBKFVKBUHIOTKEK-UHFFFAOYSA-N
MW2117.90 g/mol
LogP35.23
Rot. Bonds20

About 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine

5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine (PubChem CID 123885394) has the molecular formula C139H153N21 and a molecular weight of 2117.90 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine
PubChem CID123885394
Molecular FormulaC139H153N21
Molecular Weight2117.90 g/mol
Exact Mass2116.26
IUPAC Name5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine
SMILESCc1ccc(N(c2nc3c4ccc(C(C)C)cc4nc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(C)CCc5ccc(N(c6nc7c8ccc(C(C)(C)C)cc8nc(C(C)(C)C)n7c6C)c6nc7c8ccc(C(C)(C)CCc9cc(C)c(N(c%10nc%11c%12ccc(-c%13ccccc%13)cc%12nc(C(C)(C)C)n%11c%10C)c%10nc%11c%12ccc(-c%13ccccc%13)cc%12nc(C(C)(C)C)n%11c%10C)c(C)c9)cc8nc(C(C)(C)C)n7c6C)cc5)cc4nc(C(C)(C)C)n3c2C)cc1
InChIInChI=1S/C139H153N21/c1-78(2)93-52-62-101-107(72-93)140-126(133(16,17)18)152-83(7)114(146-120(101)152)158(99-58-46-79(3)47-59-99)115-84(8)153-121(147-115)102-63-53-94(73-108(102)141-127(153)134(19,20)21)80(4)48-49-89-50-60-100(61-51-89)159(116-85(9)154-124(148-116)105-66-56-97(132(13,14)15)76-111(105)144-130(154)137(28,29)30)117-86(10)155-125(149-117)106-67-57-98(77-112(106)145-131(155)138(31,32)33)139(34,35)69-68-90-70-81(5)113(82(6)71-90)160(118-87(11)156-122(150-118)103-64-54-95(91-42-38-36-39-43-91)74-109(103)142-128(156)135(22,23)24)119-88(12)157-123(151-119)104-65-55-96(92-44-40-37-41-45-92)75-110(104)143-129(157)136(25,26)27/h36-47,50-67,70-78,80H,48-49,68-69H2,1-35H3
InChIKeyBKFVKBUHIOTKEK-UHFFFAOYSA-N
XLogP35.23
TPSA190.86 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms160
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.90
LogP ≤ 535.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine?
The IUPAC name of 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine (CID 123885394) is 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine is Cc1ccc(N(c2nc3c4ccc(C(C)C)cc4nc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(C)CCc5ccc(N(c6nc7c8ccc(C(C)(C)C)cc8nc(C(C)(C)C)n7c6C)c6nc7c8ccc(C(C)(C)CCc9cc(C)c(N(c%10nc%11c%12ccc(-c%13ccccc%13)cc%12nc(C(C)(C)C)n%11c%10C)c%10nc%11c%12ccc(-c%13ccccc%13)cc%12nc(C(C)(C)C)n%11c%10C)c(C)c9)cc8nc(C(C)(C)C)n7c6C)cc5)cc4nc(C(C)(C)C)n3c2C)cc1.
What is the InChIKey of 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine?
The InChIKey is BKFVKBUHIOTKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C139H153N21/c1-78(2)93-52-62-101-107(72-93)140-126(133(16,17)18)152-83(7)114(146-120(101)152)158(99-58-46-79(3)47-59-99)115-84(8)153-121(147-115)102-63-53-94(73-108(102)141-127(153)134(19,20)21)80(4)48-49-89-50-60-100(61-51-89)159(116-85(9)154-124(148-116)105-66-56-97(132(13,14)15)76-111(105)144-130(154)137(28,29)30)117-86(10)155-125(149-117)106-67-57-98(77-112(106)145-131(155)138(31,32)33)139(34,35)69-68-90-70-81(5)113(82(6)71-90)160(118-87(11)156-122(150-118)103-64-54-95(91-42-38-36-39-43-91)74-109(103)142-128(156)135(22,23)24)119-88(12)157-123(151-119)104-65-55-96(92-44-40-37-41-45-92)75-110(104)143-129(157)136(25,26)27/h36-47,50-67,70-78,80H,48-49,68-69H2,1-35H3.
What are the key properties of 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine?
5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine has a molecular weight of 2117.90 g/mol, XLogP of 35.23, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-[3-[5-tert-butyl-2-[4-[3-[5-tert-butyl-2-(N-(5-tert-butyl-3-methyl-8-propan-2-ylimidazo[1,2-c]quinazolin-2-yl)-4-methylanilino)-3-methylimidazo[1,2-c]quinazolin-8-yl]butyl]-N-(5,8-ditert-butyl-3-methylimidazo[1,2-c]quinazolin-2-yl)anilino]-3-methylimidazo[1,2-c]quinazolin-8-yl]-3-methylbutyl]-2,6-dimethylphenyl]-N-(5-tert-butyl-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-yl)-3-methyl-8-phenylimidazo[1,2-c]quinazolin-2-amine is sourced from PubChem (CID 123885394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).