[(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane

C114H112N8O20 — CID 159061272

IUPAC[(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane
SMILESC.C.Cc1cc(-c2ccc(NC(=O)O/C=C3\C(=O)C(O)=C(C(C)C)c4cc(C)c(-c5c(C)cc6c(c5O)/C(=C/OC(=O)Nc5ccc(-c7ccc(N)c(C)c7)cc5C)C(=O)C(O)=C6C(C)C)c(O)c43)c(C)c2)ccc1N.Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/OC(=O)Nc1cccc4c(N)cccc14)C(=O)C(O)=C3C(C)C)/C(=C/OC(=O)Nc1cccc3c(N)cccc13)C(=O)C(O)=C2C(C)C
InChIInChI=1S/C60H58N4O10.C52H46N4O10.2CH4/c1-27(2)47-39-23-33(9)49(55(67)51(39)41(53(65)57(47)69)25-73-59(71)63-45-17-13-37(21-31(45)7)35-11-15-43(61)29(5)19-35)50-34(10)24-40-48(28(3)4)58(70)54(66)42(52(40)56(50)68)26-74-60(72)64-46-18-14-38(22-32(46)8)36-12-16-44(62)30(6)20-36;1-23(2)39-31-19-25(5)41(47(59)43(31)33(45(57)49(39)61)21-65-51(63)55-37-17-9-11-27-29(37)13-7-15-35(27)53)42-26(6)20-32-40(24(3)4)50(62)46(58)34(44(32)48(42)60)22-66-52(64)56-38-18-10-12-28-30(38)14-8-16-36(28)54;;/h11-28,67-70H,61-62H2,1-10H3,(H,63,71)(H,64,72);7-24,59-62H,53-54H2,1-6H3,(H,55,63)(H,56,64);2*1H4/b41-25-,42-26-;33-21-,34-22-;;
InChIKeyJYMOXLLEKPQBKU-VIXBSFSKSA-N
MW1914.19 g/mol
LogP25.63
Rot. Bonds16

About [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane

[(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane (PubChem CID 159061272) has the molecular formula C114H112N8O20 and a molecular weight of 1914.19 g/mol. Its IUPAC name is [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane.

Molecular Properties

Compound Name[(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane
PubChem CID159061272
Molecular FormulaC114H112N8O20
Molecular Weight1914.19 g/mol
Exact Mass1912.80
IUPAC Name[(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane
SMILESC.C.Cc1cc(-c2ccc(NC(=O)O/C=C3\C(=O)C(O)=C(C(C)C)c4cc(C)c(-c5c(C)cc6c(c5O)/C(=C/OC(=O)Nc5ccc(-c7ccc(N)c(C)c7)cc5C)C(=O)C(O)=C6C(C)C)c(O)c43)c(C)c2)ccc1N.Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/OC(=O)Nc1cccc4c(N)cccc14)C(=O)C(O)=C3C(C)C)/C(=C/OC(=O)Nc1cccc3c(N)cccc13)C(=O)C(O)=C2C(C)C
InChIInChI=1S/C60H58N4O10.C52H46N4O10.2CH4/c1-27(2)47-39-23-33(9)49(55(67)51(39)41(53(65)57(47)69)25-73-59(71)63-45-17-13-37(21-31(45)7)35-11-15-43(61)29(5)19-35)50-34(10)24-40-48(28(3)4)58(70)54(66)42(52(40)56(50)68)26-74-60(72)64-46-18-14-38(22-32(46)8)36-12-16-44(62)30(6)20-36;1-23(2)39-31-19-25(5)41(47(59)43(31)33(45(57)49(39)61)21-65-51(63)55-37-17-9-11-27-29(37)13-7-15-35(27)53)42-26(6)20-32-40(24(3)4)50(62)46(58)34(44(32)48(42)60)22-66-52(64)56-38-18-10-12-28-30(38)14-8-16-36(28)54;;/h11-28,67-70H,61-62H2,1-10H3,(H,63,71)(H,64,72);7-24,59-62H,53-54H2,1-6H3,(H,55,63)(H,56,64);2*1H4/b41-25-,42-26-;33-21-,34-22-;;
InChIKeyJYMOXLLEKPQBKU-VIXBSFSKSA-N
XLogP25.63
TPSA487.52 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001914.19
LogP ≤ 525.63
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane?
The IUPAC name of [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane (CID 159061272) is [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane.
What is the SMILES notation for [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane?
The canonical SMILES for [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane is C.C.Cc1cc(-c2ccc(NC(=O)O/C=C3\C(=O)C(O)=C(C(C)C)c4cc(C)c(-c5c(C)cc6c(c5O)/C(=C/OC(=O)Nc5ccc(-c7ccc(N)c(C)c7)cc5C)C(=O)C(O)=C6C(C)C)c(O)c43)c(C)c2)ccc1N.Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/OC(=O)Nc1cccc4c(N)cccc14)C(=O)C(O)=C3C(C)C)/C(=C/OC(=O)Nc1cccc3c(N)cccc13)C(=O)C(O)=C2C(C)C.
What is the InChIKey of [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane?
The InChIKey is JYMOXLLEKPQBKU-VIXBSFSKSA-N. The full InChI is InChI=1S/C60H58N4O10.C52H46N4O10.2CH4/c1-27(2)47-39-23-33(9)49(55(67)51(39)41(53(65)57(47)69)25-73-59(71)63-45-17-13-37(21-31(45)7)35-11-15-43(61)29(5)19-35)50-34(10)24-40-48(28(3)4)58(70)54(66)42(52(40)56(50)68)26-74-60(72)64-46-18-14-38(22-32(46)8)36-12-16-44(62)30(6)20-36;1-23(2)39-31-19-25(5)41(47(59)43(31)33(45(57)49(39)61)21-65-51(63)55-37-17-9-11-27-29(37)13-7-15-35(27)53)42-26(6)20-32-40(24(3)4)50(62)46(58)34(44(32)48(42)60)22-66-52(64)56-38-18-10-12-28-30(38)14-8-16-36(28)54;;/h11-28,67-70H,61-62H2,1-10H3,(H,63,71)(H,64,72);7-24,59-62H,53-54H2,1-6H3,(H,55,63)(H,56,64);2*1H4/b41-25-,42-26-;33-21-,34-22-;;.
What are the key properties of [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane?
[(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane has a molecular weight of 1914.19 g/mol, XLogP of 25.63, 16 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[7-[(8Z)-8-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-[4-(4-amino-3-methylphenyl)-2-methylphenyl]carbamate;[(Z)-[7-[(8Z)-8-[(5-aminonaphthalen-1-yl)carbamoyloxymethylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl] N-(5-aminonaphthalen-1-yl)carbamate;methane is sourced from PubChem (CID 159061272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).