4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid

C26H28N2O2 — CID 11741727

IUPAC4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)n[nH]c1-3
InChIInChI=1S/C26H28N2O2/c1-25(2)11-12-26(3,4)21-14-19-17(13-20(21)25)9-10-18-22(27-28-23(18)19)15-5-7-16(8-6-15)24(29)30/h5-8,13-14H,9-12H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyJUIRGPCJRZSEQC-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.89
Rot. Bonds2

About 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid

4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid (PubChem CID 11741727) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid
PubChem CID11741727
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)n[nH]c1-3
InChIInChI=1S/C26H28N2O2/c1-25(2)11-12-26(3,4)21-14-19-17(13-20(21)25)9-10-18-22(27-28-23(18)19)15-5-7-16(8-6-15)24(29)30/h5-8,13-14H,9-12H2,1-4H3,(H,27,28)(H,29,30)
InChIKeyJUIRGPCJRZSEQC-UHFFFAOYSA-N
XLogP5.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid?
The IUPAC name of 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid (CID 11741727) is 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid?
The canonical SMILES for 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid is CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)n[nH]c1-3.
What is the InChIKey of 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid?
The InChIKey is JUIRGPCJRZSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-25(2)11-12-26(3,4)21-14-19-17(13-20(21)25)9-10-18-22(27-28-23(18)19)15-5-7-16(8-6-15)24(29)30/h5-8,13-14H,9-12H2,1-4H3,(H,27,28)(H,29,30).
What are the key properties of 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid?
4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid has a molecular weight of 400.52 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid is sourced from PubChem (CID 11741727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).