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

C50H30N2O — CID 122627128

IUPAC1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C50H30N2O/c1-2-13-33(14-3-1)52-44-23-10-9-22-43(44)51-49(52)32-27-25-31(26-28-32)34-18-12-19-37-35-15-4-7-20-40(35)50(47(34)37)41-21-8-5-17-39(41)46-42(50)30-29-38-36-16-6-11-24-45(36)53-48(38)46/h1-30H
InChIKeyGCBUQVBAJNDXPU-UHFFFAOYSA-N
MW674.80 g/mol
LogP12.60
Rot. Bonds3

About 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]-1-ylphenyl)benzimidazole (PubChem CID 122627128) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
PubChem CID122627128
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C50H30N2O/c1-2-13-33(14-3-1)52-44-23-10-9-22-43(44)51-49(52)32-27-25-31(26-28-32)34-18-12-19-37-35-15-4-7-20-40(35)50(47(34)37)41-21-8-5-17-39(41)46-42(50)30-29-38-36-16-6-11-24-45(36)53-48(38)46/h1-30H
InChIKeyGCBUQVBAJNDXPU-UHFFFAOYSA-N
XLogP12.60
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 122627125
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130379579
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100161
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylpyrimidine
CID 122627082
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]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 129123139
12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129122960
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-dibenzofuran-1-yl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-dibenzofuran-4-yl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;1-[3-[4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;9-phenyl-3-[4-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159806293
2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
CID 164938475
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 158795608

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole?
The IUPAC name of 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole (CID 122627128) is 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole.
What is the SMILES notation for 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole?
The canonical SMILES for 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole is c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5oc5ccccc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole?
The InChIKey is GCBUQVBAJNDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-13-33(14-3-1)52-44-23-10-9-22-43(44)51-49(52)32-27-25-31(26-28-32)34-18-12-19-37-35-15-4-7-20-40(35)50(47(34)37)41-21-8-5-17-39(41)46-42(50)30-29-38-36-16-6-11-24-45(36)53-48(38)46/h1-30H.
What are the key properties of 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]-1-ylphenyl)benzimidazole has a molecular weight of 674.80 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole is sourced from PubChem (CID 122627128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).