1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole

C46H30N2O — CID 122627125

IUPAC1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
SMILESCCn1c(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)nc2ccccc21
InChIInChI=1S/C46H30N2O/c1-2-48-40-20-9-8-19-39(40)47-45(48)29-24-22-28(23-25-29)30-15-11-18-37-42(30)33-13-3-6-16-35(33)46(37)36-17-7-4-14-34(36)43-38(46)27-26-32-31-12-5-10-21-41(31)49-44(32)43/h3-27H,2H2,1H3
InChIKeyBACDUCPGIYYNNZ-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.63
Rot. Bonds3

About 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole

1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole (PubChem CID 122627125) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
PubChem CID122627125
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
SMILESCCn1c(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)nc2ccccc21
InChIInChI=1S/C46H30N2O/c1-2-48-40-20-9-8-19-39(40)47-45(48)29-24-22-28(23-25-29)30-15-11-18-37-42(30)33-13-3-6-16-35(33)46(37)36-17-7-4-14-34(36)43-38(46)27-26-32-31-12-5-10-21-41(31)49-44(32)43/h3-27H,2H2,1H3
InChIKeyBACDUCPGIYYNNZ-UHFFFAOYSA-N
XLogP11.63
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
CID 122627128
2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole
CID 58309516
14-[4-(1-ethylbenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123636
methane;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-ylphenyl)benzimidazole;2-phenyl-1-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3'-ylphenyl)benzimidazole
CID 159315421
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130379579
2-[10-(9,9-diphenylfluoren-4-yl)-8-(1-ethylbenzimidazol-2-yl)anthracen-1-yl]-1-ethylbenzimidazole
CID 155334842
9'-[(4-naphthalen-1-ylphenyl)-phenylmethyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130266587
2,4-di(dibenzofuran-3-yl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146649073
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole?
The IUPAC name of 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole (CID 122627125) is 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole is CCn1c(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3c4oc4ccccc43)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole?
The InChIKey is BACDUCPGIYYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-48-40-20-9-8-19-39(40)47-45(48)29-24-22-28(23-25-29)30-15-11-18-37-42(30)33-13-3-6-16-35(33)46(37)36-17-7-4-14-34(36)43-38(46)27-26-32-31-12-5-10-21-41(31)49-44(32)43/h3-27H,2H2,1H3.
What are the key properties of 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole?
1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole has a molecular weight of 626.76 g/mol, XLogP of 11.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole is sourced from PubChem (CID 122627125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).