3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline

C58H37NO — CID 146337586

IUPAC3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(C7c8cc(-c9ccccc9)ccc8-c8ccc(-c9ccccc9)cc87)ccc6c45)cc4ccccc34)cc2)cc1
InChIInChI=1S/C58H37NO/c1-4-13-37(14-5-1)40-23-25-41(26-24-40)58-46-20-11-10-19-44(46)35-53(59-58)49-21-12-22-54-57(49)50-32-29-45(36-55(50)60-54)56-51-33-42(38-15-6-2-7-16-38)27-30-47(51)48-31-28-43(34-52(48)56)39-17-8-3-9-18-39/h1-36,56H
InChIKeyGDSQPERHGQJJRN-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.63
Rot. Bonds6

About 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline

3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline (PubChem CID 146337586) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline.

Molecular Properties

Compound Name3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline
PubChem CID146337586
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC Name3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(C7c8cc(-c9ccccc9)ccc8-c8ccc(-c9ccccc9)cc87)ccc6c45)cc4ccccc34)cc2)cc1
InChIInChI=1S/C58H37NO/c1-4-13-37(14-5-1)40-23-25-41(26-24-40)58-46-20-11-10-19-44(46)35-53(59-58)49-21-12-22-54-57(49)50-32-29-45(36-55(50)60-54)56-51-33-42(38-15-6-2-7-16-38)27-30-47(51)48-31-28-43(34-52(48)56)39-17-8-3-9-18-39/h1-36,56H
InChIKeyGDSQPERHGQJJRN-UHFFFAOYSA-N
XLogP15.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 169033683
1-[2-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]dibenzofuran
CID 126753743
3-[6-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]naphthalen-2-yl]dibenzofuran
CID 126753885
2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797435
2-phenanthren-9-yl-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798054
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165084892
2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
CID 146335613
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553

Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline?
The IUPAC name of 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline (CID 146337586) is 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline.
What is the SMILES notation for 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline?
The canonical SMILES for 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6cc(C7c8cc(-c9ccccc9)ccc8-c8ccc(-c9ccccc9)cc87)ccc6c45)cc4ccccc34)cc2)cc1.
What is the InChIKey of 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline?
The InChIKey is GDSQPERHGQJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-4-13-37(14-5-1)40-23-25-41(26-24-40)58-46-20-11-10-19-44(46)35-53(59-58)49-21-12-22-54-57(49)50-32-29-45(36-55(50)60-54)56-51-33-42(38-15-6-2-7-16-38)27-30-47(51)48-31-28-43(34-52(48)56)39-17-8-3-9-18-39/h1-36,56H.
What are the key properties of 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline?
3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline has a molecular weight of 763.94 g/mol, XLogP of 15.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,7-diphenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1-(4-phenylphenyl)isoquinoline is sourced from PubChem (CID 146337586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).