2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol

C50H46N4O2 — CID 134219198

IUPAC2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol
SMILESCc1cc(CCN(C)c2ccccc2N(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H46N4O2/c1-33-29-35(49(55)47(31-33)53-41-19-9-5-15-37(41)38-16-6-10-20-42(38)53)25-27-51(3)45-23-13-14-24-46(45)52(4)28-26-36-30-34(2)32-48(50(36)56)54-43-21-11-7-17-39(43)40-18-8-12-22-44(40)54/h5-24,29-32,55-56H,25-28H2,1-4H3
InChIKeyJXYYHJLDSDYLIH-UHFFFAOYSA-N
MW734.94 g/mol
LogP11.27
Rot. Bonds10

About 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol (PubChem CID 134219198) has the molecular formula C50H46N4O2 and a molecular weight of 734.94 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol
PubChem CID134219198
Molecular FormulaC50H46N4O2
Molecular Weight734.94 g/mol
Exact Mass734.36
IUPAC Name2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol
SMILESCc1cc(CCN(C)c2ccccc2N(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H46N4O2/c1-33-29-35(49(55)47(31-33)53-41-19-9-5-15-37(41)38-16-6-10-20-42(38)53)25-27-51(3)45-23-13-14-24-46(45)52(4)28-26-36-30-34(2)32-48(50(36)56)54-43-21-11-7-17-39(43)40-18-8-12-22-44(40)54/h5-24,29-32,55-56H,25-28H2,1-4H3
InChIKeyJXYYHJLDSDYLIH-UHFFFAOYSA-N
XLogP11.27
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 511.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol (CID 134219198) is 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol is Cc1cc(CCN(C)c2ccccc2N(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol?
The InChIKey is JXYYHJLDSDYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4O2/c1-33-29-35(49(55)47(31-33)53-41-19-9-5-15-37(41)38-16-6-10-20-42(38)53)25-27-51(3)45-23-13-14-24-46(45)52(4)28-26-36-30-34(2)32-48(50(36)56)54-43-21-11-7-17-39(43)40-18-8-12-22-44(40)54/h5-24,29-32,55-56H,25-28H2,1-4H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol has a molecular weight of 734.94 g/mol, XLogP of 11.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol is sourced from PubChem (CID 134219198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).