sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid

C28H26NNaO2 — CID 174534060

IUPACsodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)c1ccc(-c2ccc3c(c2)CC(C(=O)O)N3c2ccc3ccccc3c2)cc1.[H-].[Na+]
InChIInChI=1S/C28H25NO2.Na.H/c1-18(2)19-7-9-21(10-8-19)23-12-14-26-24(15-23)17-27(28(30)31)29(26)25-13-11-20-5-3-4-6-22(20)16-25;;/h3-16,18,27H,17H2,1-2H3,(H,30,31);;/q;+1;-1
InChIKeyUBFLVAVWMFIQOL-UHFFFAOYSA-N
MW431.51 g/mol
LogP3.89
Rot. Bonds4

About sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid

sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174534060) has the molecular formula C28H26NNaO2 and a molecular weight of 431.51 g/mol. Its IUPAC name is sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID174534060
Molecular FormulaC28H26NNaO2
Molecular Weight431.51 g/mol
Exact Mass431.19
IUPAC Namesodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)c1ccc(-c2ccc3c(c2)CC(C(=O)O)N3c2ccc3ccccc3c2)cc1.[H-].[Na+]
InChIInChI=1S/C28H25NO2.Na.H/c1-18(2)19-7-9-21(10-8-19)23-12-14-26-24(15-23)17-27(28(30)31)29(26)25-13-11-20-5-3-4-6-22(20)16-25;;/h3-16,18,27H,17H2,1-2H3,(H,30,31);;/q;+1;-1
InChIKeyUBFLVAVWMFIQOL-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
CID 151895326
ethyl 5-(4-cyclohexylphenyl)-1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 150713714
ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 174520970
ethyl 1-(4-propan-2-ylphenyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxylate
CID 151328443
3-phenyl-9-[4-[6-[9-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]carbazol-3-yl]naphthalen-2-yl]phenyl]-6-[4-(4-propan-2-ylphenyl)phenyl]carbazole
CID 139504733
6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
CID 174666733
1-[(2-methylpropan-2-yl)oxycarbonyl]-6-propan-2-yl-2,3-dihydroindole-2-carboxylic acid
CID 165438296
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
CID 58556165
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid
CID 10588897
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-(4-propan-2-ylphenyl)anilino]phenyl]aniline;2,8,14,20,26,32-hexakis-phenyl-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene;2,8,14,20,26-pentakis-phenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene;2,8,13,19-tetranaphthalen-2-yl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene;2,8,13,19-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene
CID 159893212

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid (CID 174534060) is sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid is CC(C)c1ccc(-c2ccc3c(c2)CC(C(=O)O)N3c2ccc3ccccc3c2)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is UBFLVAVWMFIQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2.Na.H/c1-18(2)19-7-9-21(10-8-19)23-12-14-26-24(15-23)17-27(28(30)31)29(26)25-13-11-20-5-3-4-6-22(20)16-25;;/h3-16,18,27H,17H2,1-2H3,(H,30,31);;/q;+1;-1.
What are the key properties of sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid?
sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 431.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-naphthalen-2-yl-5-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174534060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).