5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline

C46H26N4O2 — CID 163764895

IUPAC5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5nc6c7ccccc7oc6c6ccccc56)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C46H26N4O2/c1-2-11-30-26-31(25-20-27(30)10-1)45-48-44(49-46(50-45)37-17-9-16-34-32-12-5-7-18-38(32)51-42(34)37)29-23-21-28(22-24-29)40-33-13-3-4-14-35(33)43-41(47-40)36-15-6-8-19-39(36)52-43/h1-26H
InChIKeyMZPPELWFAINBRJ-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

About 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline

5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163764895) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
PubChem CID163764895
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline
SMILESc1ccc2cc(-c3nc(-c4ccc(-c5nc6c7ccccc7oc6c6ccccc56)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C46H26N4O2/c1-2-11-30-26-31(25-20-27(30)10-1)45-48-44(49-46(50-45)37-17-9-16-34-32-12-5-7-18-38(32)51-42(34)37)29-23-21-28(22-24-29)40-33-13-3-4-14-35(33)43-41(47-40)36-15-6-8-19-39(36)52-43/h1-26H
InChIKeyMZPPELWFAINBRJ-UHFFFAOYSA-N
XLogP12.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline with MolForge

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Related Compounds

5-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
CID 163533431
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
6-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018377
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 176646982
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The IUPAC name of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 163764895) is 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline.
What is the SMILES notation for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The canonical SMILES for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc2cc(-c3nc(-c4ccc(-c5nc6c7ccccc7oc6c6ccccc56)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.
What is the InChIKey of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
The InChIKey is MZPPELWFAINBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-11-30-26-31(25-20-27(30)10-1)45-48-44(49-46(50-45)37-17-9-16-34-32-12-5-7-18-38(32)51-42(34)37)29-23-21-28(22-24-29)40-33-13-3-4-14-35(33)43-41(47-40)36-15-6-8-19-39(36)52-43/h1-26H.
What are the key properties of 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline?
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 666.74 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163764895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).