3-(4-fluoranthen-3-ylphenyl)-1H-indazole

C29H18N2 — CID 148930658

IUPAC3-(4-fluoranthen-3-ylphenyl)-1H-indazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5n[nH]c6ccccc56)cc4)ccc-2c13
InChIInChI=1S/C29H18N2/c1-2-7-22-21(6-1)24-10-5-9-23-20(16-17-25(22)28(23)24)18-12-14-19(15-13-18)29-26-8-3-4-11-27(26)30-31-29/h1-17H,(H,30,31)
InChIKeyPLWNYJVFHJYWAT-UHFFFAOYSA-N
MW394.48 g/mol
LogP7.70
Rot. Bonds2

About 3-(4-fluoranthen-3-ylphenyl)-1H-indazole

3-(4-fluoranthen-3-ylphenyl)-1H-indazole (PubChem CID 148930658) has the molecular formula C29H18N2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(4-fluoranthen-3-ylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluoranthen-3-ylphenyl)-1H-indazole
PubChem CID148930658
Molecular FormulaC29H18N2
Molecular Weight394.48 g/mol
Exact Mass394.15
IUPAC Name3-(4-fluoranthen-3-ylphenyl)-1H-indazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc(-c5n[nH]c6ccccc56)cc4)ccc-2c13
InChIInChI=1S/C29H18N2/c1-2-7-22-21(6-1)24-10-5-9-23-20(16-17-25(22)28(23)24)18-12-14-19(15-13-18)29-26-8-3-4-11-27(26)30-31-29/h1-17H,(H,30,31)
InChIKeyPLWNYJVFHJYWAT-UHFFFAOYSA-N
XLogP7.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144
fluoroform;3-phenyl-1H-indazole
CID 160622015
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
6-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,3,4-triphenylpyridine
CID 170003415
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
3-(3,5-diphenylphenyl)-1H-indazole
CID 142357512
5,13-di(fluoranthen-3-yl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156188
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoranthen-3-ylphenyl)-1H-indazole?
The IUPAC name of 3-(4-fluoranthen-3-ylphenyl)-1H-indazole (CID 148930658) is 3-(4-fluoranthen-3-ylphenyl)-1H-indazole.
What is the SMILES notation for 3-(4-fluoranthen-3-ylphenyl)-1H-indazole?
The canonical SMILES for 3-(4-fluoranthen-3-ylphenyl)-1H-indazole is c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5n[nH]c6ccccc56)cc4)ccc-2c13.
What is the InChIKey of 3-(4-fluoranthen-3-ylphenyl)-1H-indazole?
The InChIKey is PLWNYJVFHJYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2/c1-2-7-22-21(6-1)24-10-5-9-23-20(16-17-25(22)28(23)24)18-12-14-19(15-13-18)29-26-8-3-4-11-27(26)30-31-29/h1-17H,(H,30,31).
What are the key properties of 3-(4-fluoranthen-3-ylphenyl)-1H-indazole?
3-(4-fluoranthen-3-ylphenyl)-1H-indazole has a molecular weight of 394.48 g/mol, XLogP of 7.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoranthen-3-ylphenyl)-1H-indazole is sourced from PubChem (CID 148930658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).