2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole

C34H20N2S — CID 154619108

IUPAC2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc4ccccc4[nH]3)c2-c2sc3ccccc3c21
InChIInChI=1S/C34H20N2S/c1-4-14-24-20(10-1)21-11-2-5-15-25(21)34(24)26-16-9-13-23(33-35-27-17-6-7-18-28(27)36-33)30(26)32-31(34)22-12-3-8-19-29(22)37-32/h1-19H,(H,35,36)
InChIKeyUZHCMNDYQOXJOF-UHFFFAOYSA-N
MW488.62 g/mol
LogP8.79
Rot. Bonds1

About 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole

2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole (PubChem CID 154619108) has the molecular formula C34H20N2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole
PubChem CID154619108
Molecular FormulaC34H20N2S
Molecular Weight488.62 g/mol
Exact Mass488.13
IUPAC Name2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc4ccccc4[nH]3)c2-c2sc3ccccc3c21
InChIInChI=1S/C34H20N2S/c1-4-14-24-20(10-1)21-11-2-5-15-25(21)34(24)26-16-9-13-23(33-35-27-17-6-7-18-28(27)36-33)30(26)32-31(34)22-12-3-8-19-29(22)37-32/h1-19H,(H,35,36)
InChIKeyUZHCMNDYQOXJOF-UHFFFAOYSA-N
XLogP8.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.62
LogP ≤ 58.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-4-yl-1H-benzimidazole
CID 139436159
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
CID 134529429
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1,3,5-triazine
CID 134529412
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
CID 134529390
6-(10,10-dimethylindeno[1,2-b][1]benzothiol-4-yl)phenanthridine
CID 168815594
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-1H-benzimidazole
CID 148507759
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylpyrimidine
CID 161452910
8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
CID 134529399
2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
CID 122220664
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
CID 122627254

Frequently Asked Questions

What is the IUPAC name of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole?
The IUPAC name of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole (CID 154619108) is 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole.
What is the SMILES notation for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole?
The canonical SMILES for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole is c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc4ccccc4[nH]3)c2-c2sc3ccccc3c21.
What is the InChIKey of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole?
The InChIKey is UZHCMNDYQOXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2S/c1-4-14-24-20(10-1)21-11-2-5-15-25(21)34(24)26-16-9-13-23(33-35-27-17-6-7-18-28(27)36-33)30(26)32-31(34)22-12-3-8-19-29(22)37-32/h1-19H,(H,35,36).
What are the key properties of 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole?
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole has a molecular weight of 488.62 g/mol, XLogP of 8.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1H-benzimidazole is sourced from PubChem (CID 154619108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).