2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole

C55H35N3 — CID 156528656

IUPAC2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C55H35N3/c1-3-15-37(16-4-1)50-34-33-45(53(56-50)38-17-5-2-6-18-38)54-57-51-25-13-14-26-52(51)58(54)40-30-27-36(28-31-40)39-29-32-44-43-21-9-12-24-48(43)55(49(44)35-39)46-22-10-7-19-41(46)42-20-8-11-23-47(42)55/h1-35H
InChIKeyASLSWNSTJJNNPI-UHFFFAOYSA-N
MW737.91 g/mol
LogP13.43
Rot. Bonds5

About 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole

2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole (PubChem CID 156528656) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
PubChem CID156528656
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C55H35N3/c1-3-15-37(16-4-1)50-34-33-45(53(56-50)38-17-5-2-6-18-38)54-57-51-25-13-14-26-52(51)58(54)40-30-27-36(28-31-40)39-29-32-44-43-21-9-12-24-48(43)55(49(44)35-39)46-22-10-7-19-41(46)42-20-8-11-23-47(42)55/h1-35H
InChIKeyASLSWNSTJJNNPI-UHFFFAOYSA-N
XLogP13.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(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
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394114
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-bis(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 158500862
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
The IUPAC name of 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole (CID 156528656) is 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole is c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
The InChIKey is ASLSWNSTJJNNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-3-15-37(16-4-1)50-34-33-45(53(56-50)38-17-5-2-6-18-38)54-57-51-25-13-14-26-52(51)58(54)40-30-27-36(28-31-40)39-29-32-44-43-21-9-12-24-48(43)55(49(44)35-39)46-22-10-7-19-41(46)42-20-8-11-23-47(42)55/h1-35H.
What are the key properties of 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole?
2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole has a molecular weight of 737.91 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenyl-3-pyridinyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 156528656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).