3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole

C32H20N2 — CID 142355901

IUPAC3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3n[nH]c4ccccc34)cccc21
InChIInChI=1S/C32H20N2/c1-5-15-25-20(10-1)21-11-2-6-16-26(21)32(25)27-17-7-3-12-22(27)30-24(14-9-18-28(30)32)31-23-13-4-8-19-29(23)33-34-31/h1-19H,(H,33,34)
InChIKeyDCJJTGVGSAWFCH-UHFFFAOYSA-N
MW432.53 g/mol
LogP7.57
Rot. Bonds1

About 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole

3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole (PubChem CID 142355901) has the molecular formula C32H20N2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole.

Molecular Properties

Compound Name3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole
PubChem CID142355901
Molecular FormulaC32H20N2
Molecular Weight432.53 g/mol
Exact Mass432.16
IUPAC Name3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3n[nH]c4ccccc34)cccc21
InChIInChI=1S/C32H20N2/c1-5-15-25-20(10-1)21-11-2-6-16-26(21)32(25)27-17-7-3-12-22(27)30-24(14-9-18-28(30)32)31-23-13-4-8-19-29(23)33-34-31/h1-19H,(H,33,34)
InChIKeyDCJJTGVGSAWFCH-UHFFFAOYSA-N
XLogP7.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

3-spiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]-4'-ylspiro[12H-indeno[1,2-a]carbazole-7,9'-fluorene]
CID 123191877
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
4-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537023
2'-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037300
CID 102532137
CID 102532137
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
2-naphthalen-1-yl-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648556
9,9-dinaphthalen-1-ylfluorene
CID 140680296
N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine
CID 172508818
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692

Frequently Asked Questions

What is the IUPAC name of 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole?
The IUPAC name of 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole (CID 142355901) is 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole.
What is the SMILES notation for 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole?
The canonical SMILES for 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3n[nH]c4ccccc34)cccc21.
What is the InChIKey of 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole?
The InChIKey is DCJJTGVGSAWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2/c1-5-15-25-20(10-1)21-11-2-6-16-26(21)32(25)27-17-7-3-12-22(27)30-24(14-9-18-28(30)32)31-23-13-4-8-19-29(23)33-34-31/h1-19H,(H,33,34).
What are the key properties of 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole?
3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole has a molecular weight of 432.53 g/mol, XLogP of 7.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9'-spirobi[fluorene]-4'-yl)-1H-indazole is sourced from PubChem (CID 142355901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).