1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline

C27H21NO — CID 166573839

IUPAC1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2cccc3oc4c(-c5nccc6c5CCCC6)cccc4c23)cc1
InChIInChI=1S/C27H21NO/c1-2-8-18(9-3-1)20-12-7-15-24-25(20)22-13-6-14-23(27(22)29-24)26-21-11-5-4-10-19(21)16-17-28-26/h1-3,6-9,12-17H,4-5,10-11H2
InChIKeyUNZYQCRMTHBJME-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.19
Rot. Bonds2

About 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline

1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 166573839) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID166573839
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESc1ccc(-c2cccc3oc4c(-c5nccc6c5CCCC6)cccc4c23)cc1
InChIInChI=1S/C27H21NO/c1-2-8-18(9-3-1)20-12-7-15-24-25(20)22-13-6-14-23(27(22)29-24)26-21-11-5-4-10-19(21)16-17-28-26/h1-3,6-9,12-17H,4-5,10-11H2
InChIKeyUNZYQCRMTHBJME-UHFFFAOYSA-N
XLogP7.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-tert-butyldibenzofuran-4-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 171576802
1,6-diphenyldibenzofuran
CID 145331756
1-(8-phenyldibenzothiophen-4-yl)-5,6,7,8-tetrahydroisoquinoline
CID 166574367
2-chloro-4-phenyl-6-(9-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155096858
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(2-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808494
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
4-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146952352
2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978730
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588

Frequently Asked Questions

What is the IUPAC name of 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline (CID 166573839) is 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline is c1ccc(-c2cccc3oc4c(-c5nccc6c5CCCC6)cccc4c23)cc1.
What is the InChIKey of 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is UNZYQCRMTHBJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-2-8-18(9-3-1)20-12-7-15-24-25(20)22-13-6-14-23(27(22)29-24)26-21-11-5-4-10-19(21)16-17-28-26/h1-3,6-9,12-17H,4-5,10-11H2.
What are the key properties of 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline?
1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 375.47 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-phenyldibenzofuran-4-yl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 166573839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).