2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid

C123H95F7N10O20 — CID 173215687

IUPAC2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(C(F)(F)F)c1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc2ccccc12.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C(F)(F)F.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1Cc1ccccc1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1F
InChIInChI=1S/C29H24N2O4.C26H20N2O4.2C23H17F3N2O4.C22H17FN2O4/c30-29(34)22-12-6-13-23-27(22)28-24(14-7-15-25(28)35-18-26(32)33)31(23)17-21-11-5-4-10-20(21)16-19-8-2-1-3-9-19;27-26(31)19-10-4-11-20-24(19)25-21(12-5-13-22(25)32-15-23(29)30)28(20)14-17-8-3-7-16-6-1-2-9-18(16)17;24-23(25,26)14-5-1-4-13(10-14)11-28-16-7-2-6-15(22(27)31)20(16)21-17(28)8-3-9-18(21)32-12-19(29)30;24-23(25,26)15-7-2-1-5-13(15)11-28-16-8-3-6-14(22(27)31)20(16)21-17(28)9-4-10-18(21)32-12-19(29)30;23-15-7-2-1-5-13(15)11-25-16-8-3-6-14(22(24)28)20(16)21-17(25)9-4-10-18(21)29-12-19(26)27/h1-15H,16-18H2,(H2,30,34)(H,32,33);1-13H,14-15H2,(H2,27,31)(H,29,30);2*1-10H,11-12H2,(H2,27,31)(H,29,30);1-10H,11-12H2,(H2,24,28)(H,26,27)
InChIKeyIHPVNBMKYFIVFA-UHFFFAOYSA-N
MW2166.15 g/mol
LogP21.95
Rot. Bonds32

About 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid

2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid (PubChem CID 173215687) has the molecular formula C123H95F7N10O20 and a molecular weight of 2166.15 g/mol. Its IUPAC name is 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
PubChem CID173215687
Molecular FormulaC123H95F7N10O20
Molecular Weight2166.15 g/mol
Exact Mass2164.66
IUPAC Name2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(C(F)(F)F)c1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc2ccccc12.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C(F)(F)F.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1Cc1ccccc1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1F
InChIInChI=1S/C29H24N2O4.C26H20N2O4.2C23H17F3N2O4.C22H17FN2O4/c30-29(34)22-12-6-13-23-27(22)28-24(14-7-15-25(28)35-18-26(32)33)31(23)17-21-11-5-4-10-20(21)16-19-8-2-1-3-9-19;27-26(31)19-10-4-11-20-24(19)25-21(12-5-13-22(25)32-15-23(29)30)28(20)14-17-8-3-7-16-6-1-2-9-18(16)17;24-23(25,26)14-5-1-4-13(10-14)11-28-16-7-2-6-15(22(27)31)20(16)21-17(28)8-3-9-18(21)32-12-19(29)30;24-23(25,26)15-7-2-1-5-13(15)11-28-16-8-3-6-14(22(27)31)20(16)21-17(28)9-4-10-18(21)32-12-19(29)30;23-15-7-2-1-5-13(15)11-25-16-8-3-6-14(22(24)28)20(16)21-17(25)9-4-10-18(21)29-12-19(26)27/h1-15H,16-18H2,(H2,30,34)(H,32,33);1-13H,14-15H2,(H2,27,31)(H,29,30);2*1-10H,11-12H2,(H2,27,31)(H,29,30);1-10H,11-12H2,(H2,24,28)(H,26,27)
InChIKeyIHPVNBMKYFIVFA-UHFFFAOYSA-N
XLogP21.95
TPSA472.75 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002166.15
LogP ≤ 521.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid (CID 173215687) is 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc(C(F)(F)F)c1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1cccc2ccccc12.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C(F)(F)F.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1Cc1ccccc1.NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1F.
What is the InChIKey of 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid?
The InChIKey is IHPVNBMKYFIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4.C26H20N2O4.2C23H17F3N2O4.C22H17FN2O4/c30-29(34)22-12-6-13-23-27(22)28-24(14-7-15-25(28)35-18-26(32)33)31(23)17-21-11-5-4-10-20(21)16-19-8-2-1-3-9-19;27-26(31)19-10-4-11-20-24(19)25-21(12-5-13-22(25)32-15-23(29)30)28(20)14-17-8-3-7-16-6-1-2-9-18(16)17;24-23(25,26)14-5-1-4-13(10-14)11-28-16-7-2-6-15(22(27)31)20(16)21-17(28)8-3-9-18(21)32-12-19(29)30;24-23(25,26)15-7-2-1-5-13(15)11-28-16-8-3-6-14(22(27)31)20(16)21-17(28)9-4-10-18(21)32-12-19(29)30;23-15-7-2-1-5-13(15)11-25-16-8-3-6-14(22(24)28)20(16)21-17(25)9-4-10-18(21)29-12-19(26)27/h1-15H,16-18H2,(H2,30,34)(H,32,33);1-13H,14-15H2,(H2,27,31)(H,29,30);2*1-10H,11-12H2,(H2,27,31)(H,29,30);1-10H,11-12H2,(H2,24,28)(H,26,27).
What are the key properties of 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid?
2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid has a molecular weight of 2166.15 g/mol, XLogP of 21.95, 32 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2-benzylphenyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[(2-fluorophenyl)methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-(naphthalen-1-ylmethyl)carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid;2-[5-carbamoyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 173215687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).