1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline

C42H25NO — CID 154619109

IUPAC1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc3ccccc23)cc1
InChIInChI=1S/C42H25NO/c1-2-12-26(13-3-1)40-29-15-5-4-14-27(29)25-37(43-40)28-22-23-32-36(24-28)42(39-33-18-8-11-21-38(33)44-41(32)39)34-19-9-6-16-30(34)31-17-7-10-20-35(31)42/h1-25H
InChIKeyROQZLKJZLGUDLU-UHFFFAOYSA-N
MW559.67 g/mol
LogP10.66
Rot. Bonds2

About 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline

1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline (PubChem CID 154619109) has the molecular formula C42H25NO and a molecular weight of 559.67 g/mol. Its IUPAC name is 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline.

Molecular Properties

Compound Name1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline
PubChem CID154619109
Molecular FormulaC42H25NO
Molecular Weight559.67 g/mol
Exact Mass559.19
IUPAC Name1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc3ccccc23)cc1
InChIInChI=1S/C42H25NO/c1-2-12-26(13-3-1)40-29-15-5-4-14-27(29)25-37(43-40)28-22-23-32-36(24-28)42(39-33-18-8-11-21-38(33)44-41(32)39)34-19-9-6-16-30(34)31-17-7-10-20-35(31)42/h1-25H
InChIKeyROQZLKJZLGUDLU-UHFFFAOYSA-N
XLogP10.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine
CID 134529155
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
CID 134551139
7'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[indeno[1,2-b][1]benzofuran-10,5'-indeno[1,2-b]pyridine]
CID 126652975
4,6-diphenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylpyrimidine
CID 158617039
2-naphthalen-2-yl-4-phenyl-6-[2-[(9S)-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-yl]phenyl]pyrimidine
CID 155048189
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)pyrimidine;2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4-ylphenyl)-1,3,5-triazine
CID 159078190
2,4-diphenyl-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)-1,3,5-triazine;4-naphthalen-1-yl-6-phenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;4-naphthalen-1-yl-6-phenyl-2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-ylpyrimidine;2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1-yl-1,3,5-triazine
CID 158895403
4-dibenzofuran-1-yl-2-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153287866
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-yl-1,3,5-triazine
CID 162101034
N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2-amine
CID 134551177
4,6-diphenyl-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylpyrimidine;4,6-diphenyl-2-(2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylphenyl)pyrimidine
CID 159201364
4-dibenzofuran-2-yl-6-(3,5-diphenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 153288108

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline?
The IUPAC name of 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline (CID 154619109) is 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline.
What is the SMILES notation for 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline?
The canonical SMILES for 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc3ccccc23)cc1.
What is the InChIKey of 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline?
The InChIKey is ROQZLKJZLGUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO/c1-2-12-26(13-3-1)40-29-15-5-4-14-27(29)25-37(43-40)28-22-23-32-36(24-28)42(39-33-18-8-11-21-38(33)44-41(32)39)34-19-9-6-16-30(34)31-17-7-10-20-35(31)42/h1-25H.
What are the key properties of 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline?
1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline has a molecular weight of 559.67 g/mol, XLogP of 10.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylisoquinoline is sourced from PubChem (CID 154619109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).