2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole

C122H137F4I2N3O8 — CID 158465245

IUPAC2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole
SMILESCCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCCCCOc2ccc(F)cc2-c2cc(C(C)(C)CCCCCCCC)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.CCCCCCCCC(C)(C)c1cc(C)c(OCOC)c(-n2c3ccccc3c3ccccc32)c1.Fc1ccc(OCCCCOc2ccc(F)cc2I)c(I)c1
InChIInChI=1S/C74H82F2N2O4.C32H41NO2.C16H14F2I2O2/c1-7-9-11-13-15-25-41-73(3,4)51-45-61(71(79)67(47-51)77-63-33-21-17-29-55(63)56-30-18-22-34-64(56)77)59-49-53(75)37-39-69(59)81-43-27-28-44-82-70-40-38-54(76)50-60(70)62-46-52(74(5,6)42-26-16-14-12-10-8-2)48-68(72(62)80)78-65-35-23-19-31-57(65)58-32-20-24-36-66(58)78;1-6-7-8-9-10-15-20-32(3,4)25-21-24(2)31(35-23-34-5)30(22-25)33-28-18-13-11-16-26(28)27-17-12-14-19-29(27)33;17-11-3-5-15(13(19)9-11)21-7-1-2-8-22-16-6-4-12(18)10-14(16)20/h17-24,29-40,45-50,79-80H,7-16,25-28,41-44H2,1-6H3;11-14,16-19,21-22H,6-10,15,20,23H2,1-5H3;3-6,9-10H,1-2,7-8H2
InChIKeyHFRCQVPLBJWOGJ-UHFFFAOYSA-N
MW2103.25 g/mol
LogP35.71
Rot. Bonds46

About 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole

2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole (PubChem CID 158465245) has the molecular formula C122H137F4I2N3O8 and a molecular weight of 2103.25 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole
PubChem CID158465245
Molecular FormulaC122H137F4I2N3O8
Molecular Weight2103.25 g/mol
Exact Mass2101.84
IUPAC Name2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole
SMILESCCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCCCCOc2ccc(F)cc2-c2cc(C(C)(C)CCCCCCCC)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.CCCCCCCCC(C)(C)c1cc(C)c(OCOC)c(-n2c3ccccc3c3ccccc32)c1.Fc1ccc(OCCCCOc2ccc(F)cc2I)c(I)c1
InChIInChI=1S/C74H82F2N2O4.C32H41NO2.C16H14F2I2O2/c1-7-9-11-13-15-25-41-73(3,4)51-45-61(71(79)67(47-51)77-63-33-21-17-29-55(63)56-30-18-22-34-64(56)77)59-49-53(75)37-39-69(59)81-43-27-28-44-82-70-40-38-54(76)50-60(70)62-46-52(74(5,6)42-26-16-14-12-10-8-2)48-68(72(62)80)78-65-35-23-19-31-57(65)58-32-20-24-36-66(58)78;1-6-7-8-9-10-15-20-32(3,4)25-21-24(2)31(35-23-34-5)30(22-25)33-28-18-13-11-16-26(28)27-17-12-14-19-29(27)33;17-11-3-5-15(13(19)9-11)21-7-1-2-8-22-16-6-4-12(18)10-14(16)20/h17-24,29-40,45-50,79-80H,7-16,25-28,41-44H2,1-6H3;11-14,16-19,21-22H,6-10,15,20,23H2,1-5H3;3-6,9-10H,1-2,7-8H2
InChIKeyHFRCQVPLBJWOGJ-UHFFFAOYSA-N
XLogP35.71
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds46
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.25
LogP ≤ 535.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole (CID 158465245) is 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole is CCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2OCCCCOc2ccc(F)cc2-c2cc(C(C)(C)CCCCCCCC)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.CCCCCCCCC(C)(C)c1cc(C)c(OCOC)c(-n2c3ccccc3c3ccccc32)c1.Fc1ccc(OCCCCOc2ccc(F)cc2I)c(I)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole?
The InChIKey is HFRCQVPLBJWOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H82F2N2O4.C32H41NO2.C16H14F2I2O2/c1-7-9-11-13-15-25-41-73(3,4)51-45-61(71(79)67(47-51)77-63-33-21-17-29-55(63)56-30-18-22-34-64(56)77)59-49-53(75)37-39-69(59)81-43-27-28-44-82-70-40-38-54(76)50-60(70)62-46-52(74(5,6)42-26-16-14-12-10-8-2)48-68(72(62)80)78-65-35-23-19-31-57(65)58-32-20-24-36-66(58)78;1-6-7-8-9-10-15-20-32(3,4)25-21-24(2)31(35-23-34-5)30(22-25)33-28-18-13-11-16-26(28)27-17-12-14-19-29(27)33;17-11-3-5-15(13(19)9-11)21-7-1-2-8-22-16-6-4-12(18)10-14(16)20/h17-24,29-40,45-50,79-80H,7-16,25-28,41-44H2,1-6H3;11-14,16-19,21-22H,6-10,15,20,23H2,1-5H3;3-6,9-10H,1-2,7-8H2.
What are the key properties of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole?
2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole has a molecular weight of 2103.25 g/mol, XLogP of 35.71, 46 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole is sourced from PubChem (CID 158465245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).