7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline

C42H26N4O — CID 174302135

IUPAC7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccccc6)ncc5c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C42H26N4O/c1-3-10-27(11-4-1)28-18-20-30(21-19-28)40-44-41(32-23-22-31-25-36(43-26-33(31)24-32)29-12-5-2-6-13-29)46-42(45-40)35-15-9-17-38-39(35)34-14-7-8-16-37(34)47-38/h1-26H
InChIKeyCMWBXCTVRSOVPQ-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.65
Rot. Bonds5

About 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline

7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline (PubChem CID 174302135) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline.

Molecular Properties

Compound Name7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline
PubChem CID174302135
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccccc6)ncc5c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C42H26N4O/c1-3-10-27(11-4-1)28-18-20-30(21-19-28)40-44-41(32-23-22-31-25-36(43-26-33(31)24-32)29-12-5-2-6-13-29)46-42(45-40)35-15-9-17-38-39(35)34-14-7-8-16-37(34)47-38/h1-26H
InChIKeyCMWBXCTVRSOVPQ-UHFFFAOYSA-N
XLogP10.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
3-[4-phenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]isoquinoline
CID 174301549
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280

Frequently Asked Questions

What is the IUPAC name of 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline?
The IUPAC name of 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline (CID 174302135) is 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline.
What is the SMILES notation for 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline?
The canonical SMILES for 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline is c1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccccc6)ncc5c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline?
The InChIKey is CMWBXCTVRSOVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-3-10-27(11-4-1)28-18-20-30(21-19-28)40-44-41(32-23-22-31-25-36(43-26-33(31)24-32)29-12-5-2-6-13-29)46-42(45-40)35-15-9-17-38-39(35)34-14-7-8-16-37(34)47-38/h1-26H.
What are the key properties of 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline?
7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline has a molecular weight of 602.70 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-phenylisoquinoline is sourced from PubChem (CID 174302135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).