2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole

C44H27BrN2 — CID 130287427

IUPAC2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C44H27BrN2/c45-31-23-25-36-34-13-5-7-15-38(34)44(40(36)27-31)37-14-6-4-12-33(37)35-24-22-30(26-39(35)44)28-18-20-29(21-19-28)43-46-41-16-8-9-17-42(41)47(43)32-10-2-1-3-11-32/h1-27H
InChIKeyOAEZIXLXNMAWTM-UHFFFAOYSA-N
MW663.62 g/mol
LogP11.47
Rot. Bonds3

About 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole

2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 130287427) has the molecular formula C44H27BrN2 and a molecular weight of 663.62 g/mol. Its IUPAC name is 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID130287427
Molecular FormulaC44H27BrN2
Molecular Weight663.62 g/mol
Exact Mass662.14
IUPAC Name2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21
InChIInChI=1S/C44H27BrN2/c45-31-23-25-36-34-13-5-7-15-38(34)44(40(36)27-31)37-14-6-4-12-33(37)35-24-22-30(26-39(35)44)28-18-20-29(21-19-28)43-46-41-16-8-9-17-42(41)47(43)32-10-2-1-3-11-32/h1-27H
InChIKeyOAEZIXLXNMAWTM-UHFFFAOYSA-N
XLogP11.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.62
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
1-phenyl-2-(4-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylphenyl)benzimidazole
CID 134258304
9-[3-carbazol-9-yl-5-[3-(1-phenylbenzimidazol-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]carbazole
CID 58500843
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 156528656
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole (CID 130287427) is 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc21.
What is the InChIKey of 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is OAEZIXLXNMAWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27BrN2/c45-31-23-25-36-34-13-5-7-15-38(34)44(40(36)27-31)37-14-6-4-12-33(37)35-24-22-30(26-39(35)44)28-18-20-29(21-19-28)43-46-41-16-8-9-17-42(41)47(43)32-10-2-1-3-11-32/h1-27H.
What are the key properties of 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 663.62 g/mol, XLogP of 11.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 130287427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).