methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate

C163H131N19O21 — CID 59479625

IUPACmethyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(C(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)c6ccc(NC(=O)c7ccc(C(=O)Nc8ccc(C(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)c9ccc(NC(=O)c%10ccc(C(=O)OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C163H131N19O21/c1-164-141(183)97-9-23-104(24-10-97)148(190)171-129-73-49-117(50-74-129)161(118-51-75-130(76-52-118)172-149(191)105-25-11-98(12-26-105)142(184)165-2,119-53-77-131(78-54-119)173-150(192)106-27-13-99(14-28-106)143(185)166-3)124-63-87-136(88-64-124)178-155(197)111-37-39-112(40-38-111)156(198)179-137-89-65-125(66-90-137)162(120-55-79-132(80-56-120)174-151(193)107-29-15-100(16-30-107)144(186)167-4,121-57-81-133(82-58-121)175-152(194)108-31-17-101(18-32-108)145(187)168-5)126-67-91-138(92-68-126)180-157(199)113-41-43-114(44-42-113)158(200)181-139-93-69-127(70-94-139)163(122-59-83-134(84-60-122)176-153(195)109-33-19-102(20-34-109)146(188)169-6,123-61-85-135(86-62-123)177-154(196)110-35-21-103(22-36-110)147(189)170-7)128-71-95-140(96-72-128)182-159(201)115-45-47-116(48-46-115)160(202)203-8/h9-96H,1-8H3,(H,164,183)(H,165,184)(H,166,185)(H,167,186)(H,168,187)(H,169,188)(H,170,189)(H,171,190)(H,172,191)(H,173,192)(H,174,193)(H,175,194)(H,176,195)(H,177,196)(H,178,197)(H,179,198)(H,180,199)(H,181,200)(H,182,201)
InChIKeyALPGTRZMTCZXRN-UHFFFAOYSA-N
MW2691.95 g/mol
LogP25.17
Rot. Bonds44

About methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate

methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate (PubChem CID 59479625) has the molecular formula C163H131N19O21 and a molecular weight of 2691.95 g/mol. Its IUPAC name is methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate
PubChem CID59479625
Molecular FormulaC163H131N19O21
Molecular Weight2691.95 g/mol
Exact Mass2689.98
IUPAC Namemethyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(C(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)c6ccc(NC(=O)c7ccc(C(=O)Nc8ccc(C(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)c9ccc(NC(=O)c%10ccc(C(=O)OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C163H131N19O21/c1-164-141(183)97-9-23-104(24-10-97)148(190)171-129-73-49-117(50-74-129)161(118-51-75-130(76-52-118)172-149(191)105-25-11-98(12-26-105)142(184)165-2,119-53-77-131(78-54-119)173-150(192)106-27-13-99(14-28-106)143(185)166-3)124-63-87-136(88-64-124)178-155(197)111-37-39-112(40-38-111)156(198)179-137-89-65-125(66-90-137)162(120-55-79-132(80-56-120)174-151(193)107-29-15-100(16-30-107)144(186)167-4,121-57-81-133(82-58-121)175-152(194)108-31-17-101(18-32-108)145(187)168-5)126-67-91-138(92-68-126)180-157(199)113-41-43-114(44-42-113)158(200)181-139-93-69-127(70-94-139)163(122-59-83-134(84-60-122)176-153(195)109-33-19-102(20-34-109)146(188)169-6,123-61-85-135(86-62-123)177-154(196)110-35-21-103(22-36-110)147(189)170-7)128-71-95-140(96-72-128)182-159(201)115-45-47-116(48-46-115)160(202)203-8/h9-96H,1-8H3,(H,164,183)(H,165,184)(H,166,185)(H,167,186)(H,168,187)(H,169,188)(H,170,189)(H,171,190)(H,172,191)(H,173,192)(H,174,193)(H,175,194)(H,176,195)(H,177,196)(H,178,197)(H,179,198)(H,180,199)(H,181,200)(H,182,201)
InChIKeyALPGTRZMTCZXRN-UHFFFAOYSA-N
XLogP25.17
TPSA579.20 Ų
H-Bond Donors19
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002691.95
LogP ≤ 525.17
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate (CID 59479625) is methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate is CNC(=O)c1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(C(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)c6ccc(NC(=O)c7ccc(C(=O)Nc8ccc(C(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)c9ccc(NC(=O)c%10ccc(C(=O)OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate?
The InChIKey is ALPGTRZMTCZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C163H131N19O21/c1-164-141(183)97-9-23-104(24-10-97)148(190)171-129-73-49-117(50-74-129)161(118-51-75-130(76-52-118)172-149(191)105-25-11-98(12-26-105)142(184)165-2,119-53-77-131(78-54-119)173-150(192)106-27-13-99(14-28-106)143(185)166-3)124-63-87-136(88-64-124)178-155(197)111-37-39-112(40-38-111)156(198)179-137-89-65-125(66-90-137)162(120-55-79-132(80-56-120)174-151(193)107-29-15-100(16-30-107)144(186)167-4,121-57-81-133(82-58-121)175-152(194)108-31-17-101(18-32-108)145(187)168-5)126-67-91-138(92-68-126)180-157(199)113-41-43-114(44-42-113)158(200)181-139-93-69-127(70-94-139)163(122-59-83-134(84-60-122)176-153(195)109-33-19-102(20-34-109)146(188)169-6,123-61-85-135(86-62-123)177-154(196)110-35-21-103(22-36-110)147(189)170-7)128-71-95-140(96-72-128)182-159(201)115-45-47-116(48-46-115)160(202)203-8/h9-96H,1-8H3,(H,164,183)(H,165,184)(H,166,185)(H,167,186)(H,168,187)(H,169,188)(H,170,189)(H,171,190)(H,172,191)(H,173,192)(H,174,193)(H,175,194)(H,176,195)(H,177,196)(H,178,197)(H,179,198)(H,180,199)(H,181,200)(H,182,201).
What are the key properties of methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate?
methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate has a molecular weight of 2691.95 g/mol, XLogP of 25.17, 44 rotatable bonds, 19 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[[4-[[4-[[4-[bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]-[4-[[4-[[4-[tris[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-bis[4-[[4-(methylcarbamoyl)benzoyl]amino]phenyl]methyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 59479625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).