2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride

C121H149ClN10O6 — CID 159346905

IUPAC2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride
SMILESCC(C)c1ccccn1.CC(C)c1ccccn1.CCN(C)C.CCN(C)C.CCN(CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1C)CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1OCOC.CCN(CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.CCOC.CCOC.Cl
InChIInChI=1S/C47H47N3O2.C44H41N3O2.2C8H11N.2C4H11N.2C3H8O.ClH/c1-6-48(25-23-35-27-32(2)29-45(34(35)4)49-41-19-11-7-15-37(41)38-16-8-12-20-42(38)49)26-24-36-28-33(3)30-46(47(36)52-31-51-5)50-43-21-13-9-17-39(43)40-18-10-14-22-44(40)50;1-4-45(23-21-31-25-29(2)27-41(43(31)48)46-37-17-9-5-13-33(37)34-14-6-10-18-38(34)46)24-22-32-26-30(3)28-42(44(32)49)47-39-19-11-7-15-35(39)36-16-8-12-20-40(36)47;2*1-7(2)8-5-3-4-6-9-8;2*1-4-5(2)3;2*1-3-4-2;/h7-22,27-30H,6,23-26,31H2,1-5H3;5-20,25-28,48-49H,4,21-24H2,1-3H3;2*3-7H,1-2H3;2*4H2,1-3H3;2*3H2,1-2H3;1H
InChIKeyCRQOFVYAQLCDFZ-UHFFFAOYSA-N
MW1875.04 g/mol
LogP28.18
Rot. Bonds27

About 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride

2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride (PubChem CID 159346905) has the molecular formula C121H149ClN10O6 and a molecular weight of 1875.04 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride
PubChem CID159346905
Molecular FormulaC121H149ClN10O6
Molecular Weight1875.04 g/mol
Exact Mass1873.14
IUPAC Name2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride
SMILESCC(C)c1ccccn1.CC(C)c1ccccn1.CCN(C)C.CCN(C)C.CCN(CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1C)CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1OCOC.CCN(CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.CCOC.CCOC.Cl
InChIInChI=1S/C47H47N3O2.C44H41N3O2.2C8H11N.2C4H11N.2C3H8O.ClH/c1-6-48(25-23-35-27-32(2)29-45(34(35)4)49-41-19-11-7-15-37(41)38-16-8-12-20-42(38)49)26-24-36-28-33(3)30-46(47(36)52-31-51-5)50-43-21-13-9-17-39(43)40-18-10-14-22-44(40)50;1-4-45(23-21-31-25-29(2)27-41(43(31)48)46-37-17-9-5-13-33(37)34-14-6-10-18-38(34)46)24-22-32-26-30(3)28-42(44(32)49)47-39-19-11-7-15-35(39)36-16-8-12-20-40(36)47;2*1-7(2)8-5-3-4-6-9-8;2*1-4-5(2)3;2*1-3-4-2;/h7-22,27-30H,6,23-26,31H2,1-5H3;5-20,25-28,48-49H,4,21-24H2,1-3H3;2*3-7H,1-2H3;2*4H2,1-3H3;2*3H2,1-2H3;1H
InChIKeyCRQOFVYAQLCDFZ-UHFFFAOYSA-N
XLogP28.18
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001875.04
LogP ≤ 528.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride?
The IUPAC name of 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride (CID 159346905) is 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride is CC(C)c1ccccn1.CC(C)c1ccccn1.CCN(C)C.CCN(C)C.CCN(CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1C)CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1OCOC.CCN(CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O)CCc1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.CCOC.CCOC.Cl.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride?
The InChIKey is CRQOFVYAQLCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H47N3O2.C44H41N3O2.2C8H11N.2C4H11N.2C3H8O.ClH/c1-6-48(25-23-35-27-32(2)29-45(34(35)4)49-41-19-11-7-15-37(41)38-16-8-12-20-42(38)49)26-24-36-28-33(3)30-46(47(36)52-31-51-5)50-43-21-13-9-17-39(43)40-18-10-14-22-44(40)50;1-4-45(23-21-31-25-29(2)27-41(43(31)48)46-37-17-9-5-13-33(37)34-14-6-10-18-38(34)46)24-22-32-26-30(3)28-42(44(32)49)47-39-19-11-7-15-35(39)36-16-8-12-20-40(36)47;2*1-7(2)8-5-3-4-6-9-8;2*1-4-5(2)3;2*1-3-4-2;/h7-22,27-30H,6,23-26,31H2,1-5H3;5-20,25-28,48-49H,4,21-24H2,1-3H3;2*3-7H,1-2H3;2*4H2,1-3H3;2*3H2,1-2H3;1H.
What are the key properties of 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride?
2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride has a molecular weight of 1875.04 g/mol, XLogP of 28.18, 27 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-ethylamino]ethyl]-4-methylphenol;2-(3-carbazol-9-yl-2,5-dimethylphenyl)-N-[2-[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]ethyl]-N-ethylethanamine;bis(N,N-dimethylethanamine);methoxyethane;bis(2-propan-2-ylpyridine);hydrochloride is sourced from PubChem (CID 159346905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).