6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile

C55H33N3O — CID 155157107

IUPAC6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3cc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C55H33N3O/c56-34-35-25-26-39-30-40(28-27-38(39)29-35)45-32-41(37-15-12-16-42(31-37)58-51-23-10-9-22-50(51)57-54(58)36-13-2-1-3-14-36)33-49-53(45)59-52-24-11-8-21-48(52)55(49)46-19-6-4-17-43(46)44-18-5-7-20-47(44)55/h1-33H
InChIKeyHXOBCELXNHUQTJ-UHFFFAOYSA-N
MW751.89 g/mol
LogP13.52
Rot. Bonds4

About 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile

6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile (PubChem CID 155157107) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile
PubChem CID155157107
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3cc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C55H33N3O/c56-34-35-25-26-39-30-40(28-27-38(39)29-35)45-32-41(37-15-12-16-42(31-37)58-51-23-10-9-22-50(51)57-54(58)36-13-2-1-3-14-36)33-49-53(45)59-52-24-11-8-21-48(52)55(49)46-19-6-4-17-43(46)44-18-5-7-20-47(44)55/h1-33H
InChIKeyHXOBCELXNHUQTJ-UHFFFAOYSA-N
XLogP13.52
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(2-phenylbenzimidazol-1-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 155157095
4-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 155157496
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
7-[4'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,10-phenanthroline
CID 146343300
2-phenyl-1-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzimidazole;2-phenyl-4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazoline;3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzonitrile;2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,10-phenanthroline
CID 159494540
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 118688226
3-[7'-(2-phenylbenzimidazol-1-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzene-1,2-diamine
CID 155157155
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
4-[3-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488066
4-[7-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 142488094
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]aniline
CID 155157165

Frequently Asked Questions

What is the IUPAC name of 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile (CID 155157107) is 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile is N#Cc1ccc2cc(-c3cc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile?
The InChIKey is HXOBCELXNHUQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c56-34-35-25-26-39-30-40(28-27-38(39)29-35)45-32-41(37-15-12-16-42(31-37)58-51-23-10-9-22-50(51)57-54(58)36-13-2-1-3-14-36)33-49-53(45)59-52-24-11-8-21-48(52)55(49)46-19-6-4-17-43(46)44-18-5-7-20-47(44)55/h1-33H.
What are the key properties of 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile?
6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile has a molecular weight of 751.89 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 155157107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).