3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one

C144H132N18O12 — CID 138981676

IUPAC3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1ccc(OCc2c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c2COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)cc1
InChIInChI=1S/C144H132N18O12/c1-139(2)61-103-121(115(163)67-139)127(157-109-31-19-13-25-97(109)145-133(157)151-103)79-37-49-85(50-38-79)169-73-91-92(74-170-86-51-39-80(40-52-86)128-122-104(62-140(3,4)68-116(122)164)152-134-146-98-26-14-20-32-110(98)158(128)134)94(76-172-88-55-43-82(44-56-88)130-124-106(64-142(7,8)70-118(124)166)154-136-148-100-28-16-22-34-112(100)160(130)136)96(78-174-90-59-47-84(48-60-90)132-126-108(66-144(11,12)72-120(126)168)156-138-150-102-30-18-24-36-114(102)162(132)138)95(77-173-89-57-45-83(46-58-89)131-125-107(65-143(9,10)71-119(125)167)155-137-149-101-29-17-23-35-113(101)161(131)137)93(91)75-171-87-53-41-81(42-54-87)129-123-105(63-141(5,6)69-117(123)165)153-135-147-99-27-15-21-33-111(99)159(129)135/h13-60,127-132H,61-78H2,1-12H3,(H,145,151)(H,146,152)(H,147,153)(H,148,154)(H,149,155)(H,150,156)
InChIKeyREBFMHWMYGPAQO-UHFFFAOYSA-N
MW2306.75 g/mol
LogP29.21
Rot. Bonds24

About 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one

3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one (PubChem CID 138981676) has the molecular formula C144H132N18O12 and a molecular weight of 2306.75 g/mol. Its IUPAC name is 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
PubChem CID138981676
Molecular FormulaC144H132N18O12
Molecular Weight2306.75 g/mol
Exact Mass2305.03
IUPAC Name3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1ccc(OCc2c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c2COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)cc1
InChIInChI=1S/C144H132N18O12/c1-139(2)61-103-121(115(163)67-139)127(157-109-31-19-13-25-97(109)145-133(157)151-103)79-37-49-85(50-38-79)169-73-91-92(74-170-86-51-39-80(40-52-86)128-122-104(62-140(3,4)68-116(122)164)152-134-146-98-26-14-20-32-110(98)158(128)134)94(76-172-88-55-43-82(44-56-88)130-124-106(64-142(7,8)70-118(124)166)154-136-148-100-28-16-22-34-112(100)160(130)136)96(78-174-90-59-47-84(48-60-90)132-126-108(66-144(11,12)72-120(126)168)156-138-150-102-30-18-24-36-114(102)162(132)138)95(77-173-89-57-45-83(46-58-89)131-125-107(65-143(9,10)71-119(125)167)155-137-149-101-29-17-23-35-113(101)161(131)137)93(91)75-171-87-53-41-81(42-54-87)129-123-105(63-141(5,6)69-117(123)165)153-135-147-99-27-15-21-33-111(99)159(129)135/h13-60,127-132H,61-78H2,1-12H3,(H,145,151)(H,146,152)(H,147,153)(H,148,154)(H,149,155)(H,150,156)
InChIKeyREBFMHWMYGPAQO-UHFFFAOYSA-N
XLogP29.21
TPSA336.90 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.75
LogP ≤ 529.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one with MolForge

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Related Compounds

[2,4,5-Tris[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]phenyl]methyl 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981673
3,3-Dimethyl-12-[4-[[2,4,5-tris[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981674
[2,3,4,5,6-Pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]phenyl]methyl 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981675
12-[4-[3-[4-(3,3-Dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981677
[3-[4-(3,3-Dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxy-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]propyl] 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981678
12-[4-[[3,5-Bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981684
[3,5-Bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoyl]oxymethyl]phenyl]methyl 4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)benzoate
CID 138981686
2-(2-Tert-butyl-4-dibenzofuran-4-ylphenyl)-1-phenylbenzimidazole;2-(4-dibenzofuran-4-yl-2-naphthalen-1-ylphenyl)-1-phenylbenzimidazole;2-(4-dibenzofuran-4-yl-2-naphthalen-2-ylphenyl)-1-phenylbenzimidazole;2-(4-dibenzofuran-4-yl-2-phenylphenyl)-1-phenylbenzimidazole;2-(4-dibenzofuran-4-yl-2-propan-2-ylphenyl)-1-phenylbenzimidazole
CID 157061499
2-[3-[2,8-Bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1-phenylbenzimidazole;2-[3-(2,8-ditert-butyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-(2,8-dinaphthalen-1-yldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole;2-[3-[2,8-di(propan-2-yl)dibenzofuran-4-yl]phenyl]-1-phenylbenzimidazole
CID 158065967
2-Methyl-1-(6-naphtho[2,3-b][1]benzofuran-6-ylnaphthalen-2-yl)benzimidazole;2-methyl-1-(3-naphtho[2,3-b][1]benzofuran-6-ylphenyl)benzimidazole;2-methyl-1-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)benzimidazole;1-(6-naphtho[2,3-b][1]benzofuran-6-ylnaphthalen-2-yl)-2-(4-phenylphenyl)benzimidazole;1-[3-(6-naphtho[2,3-b][1]benzofuran-6-ylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-(3-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-2-(4-phenylphenyl)benzimidazole;1-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-2-(4-phenylphenyl)benzimidazole;1-[4-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 159237939
2-[4-[9,10-Bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;3-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 160578699
2-Ethyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]benzimidazole;1-methyl-2-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]benzimidazole;2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]benzimidazole;1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-1-phenylbenzimidazole
CID 160584004

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The IUPAC name of 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one (CID 138981676) is 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The canonical SMILES for 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one is CC1(C)CC(=O)C2=C(C1)Nc1nc3ccccc3n1C2c1ccc(OCc2c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c(COc3ccc(C4C5=C(CC(C)(C)CC5=O)Nc5nc6ccccc6n54)cc3)c2COc2ccc(C3C4=C(CC(C)(C)CC4=O)Nc4nc5ccccc5n43)cc2)cc1.
What is the InChIKey of 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
The InChIKey is REBFMHWMYGPAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H132N18O12/c1-139(2)61-103-121(115(163)67-139)127(157-109-31-19-13-25-97(109)145-133(157)151-103)79-37-49-85(50-38-79)169-73-91-92(74-170-86-51-39-80(40-52-86)128-122-104(62-140(3,4)68-116(122)164)152-134-146-98-26-14-20-32-110(98)158(128)134)94(76-172-88-55-43-82(44-56-88)130-124-106(64-142(7,8)70-118(124)166)154-136-148-100-28-16-22-34-112(100)160(130)136)96(78-174-90-59-47-84(48-60-90)132-126-108(66-144(11,12)72-120(126)168)156-138-150-102-30-18-24-36-114(102)162(132)138)95(77-173-89-57-45-83(46-58-89)131-125-107(65-143(9,10)71-119(125)167)155-137-149-101-29-17-23-35-113(101)161(131)137)93(91)75-171-87-53-41-81(42-54-87)129-123-105(63-141(5,6)69-117(123)165)153-135-147-99-27-15-21-33-111(99)159(129)135/h13-60,127-132H,61-78H2,1-12H3,(H,145,151)(H,146,152)(H,147,153)(H,148,154)(H,149,155)(H,150,156).
What are the key properties of 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one?
3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one has a molecular weight of 2306.75 g/mol, XLogP of 29.21, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-12-[4-[[2,3,4,5,6-pentakis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 138981676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).