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

C87H52N4O2 — CID 146343300

IUPAC7-[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
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4cc(-c5ccnc6c5ccc5ccc(-c7cccc(-c8cccc9c8Oc8ccccc8C98c9ccccc9-c9ccccc98)c7)nc56)ccc43)c2)cc1
InChIInChI=1S/C87H52N4O2/c1-2-20-54(21-3-1)85-90-77-38-12-13-39-78(77)91(85)59-25-17-23-56(51-59)62-30-19-37-75-84(62)93-80-41-15-11-35-73(80)87(75)70-33-9-6-28-65(70)67-52-57(43-46-71(67)87)60-48-49-88-82-66(60)45-42-53-44-47-76(89-81(53)82)58-24-16-22-55(50-58)61-29-18-36-74-83(61)92-79-40-14-10-34-72(79)86(74)68-31-7-4-26-63(68)64-27-5-8-32-69(64)86/h1-52H
InChIKeyURWNHHULKDCRIL-UHFFFAOYSA-N
MW1185.40 g/mol
LogP21.39
Rot. Bonds6

About 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

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 (PubChem CID 146343300) has the molecular formula C87H52N4O2 and a molecular weight of 1185.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID146343300
Molecular FormulaC87H52N4O2
Molecular Weight1185.40 g/mol
Exact Mass1184.41
IUPAC Name7-[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
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4cc(-c5ccnc6c5ccc5ccc(-c7cccc(-c8cccc9c8Oc8ccccc8C98c9ccccc9-c9ccccc98)c7)nc56)ccc43)c2)cc1
InChIInChI=1S/C87H52N4O2/c1-2-20-54(21-3-1)85-90-77-38-12-13-39-78(77)91(85)59-25-17-23-56(51-59)62-30-19-37-75-84(62)93-80-41-15-11-35-73(80)87(75)70-33-9-6-28-65(70)67-52-57(43-46-71(67)87)60-48-49-88-82-66(60)45-42-53-44-47-76(89-81(53)82)58-24-16-22-55(50-58)61-29-18-36-74-83(61)92-79-40-14-10-34-72(79)86(74)68-31-7-4-26-63(68)64-27-5-8-32-69(64)86/h1-52H
InChIKeyURWNHHULKDCRIL-UHFFFAOYSA-N
XLogP21.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.40
LogP ≤ 521.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzimidazole;2-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)quinazoline;4-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)quinazoline;2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,10-phenanthroline
CID 160735096
6-[2'-[3-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-2-carbonitrile
CID 155157107
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]phenyl]benzimidazole
CID 164783663
2-[3-(9,9-diphenylxanthen-4-yl)phenyl]-1,10-phenanthroline
CID 166914697
2,5-diphenyl-9-[3-(2-phenylbenzimidazol-1-yl)phenyl]benzo[c][2,7]phenanthroline;2,5-diphenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[c][2,7]phenanthroline;9-[3-(1,10-phenanthrolin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
CID 165105300
3-[7'-(2-phenylbenzimidazol-1-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]benzene-1,2-diamine
CID 155157155
14-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene]
CID 165058245
4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]aniline
CID 155157165
5-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 155157174
3-[9-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,10-phenanthrolin-2-yl]benzonitrile
CID 146266520
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-2-phenylbenzimidazole
CID 118688226

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3ccccc3n2-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4cc(-c5ccnc6c5ccc5ccc(-c7cccc(-c8cccc9c8Oc8ccccc8C98c9ccccc9-c9ccccc98)c7)nc56)ccc43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is URWNHHULKDCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H52N4O2/c1-2-20-54(21-3-1)85-90-77-38-12-13-39-78(77)91(85)59-25-17-23-56(51-59)62-30-19-37-75-84(62)93-80-41-15-11-35-73(80)87(75)70-33-9-6-28-65(70)67-52-57(43-46-71(67)87)60-48-49-88-82-66(60)45-42-53-44-47-76(89-81(53)82)58-24-16-22-55(50-58)61-29-18-36-74-83(61)92-79-40-14-10-34-72(79)86(74)68-31-7-4-26-63(68)64-27-5-8-32-69(64)86/h1-52H.
What are the key properties of 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?
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 has a molecular weight of 1185.40 g/mol, XLogP of 21.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146343300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).