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

C46H26N4O2 — CID 163548746

IUPAC6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c5oc5ccccc56)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1
InChIInChI=1S/C46H26N4O2/c1-2-13-30-27(11-1)12-9-17-31(30)45-48-44(49-46(50-45)35-18-10-22-39-40(35)33-15-4-7-20-37(33)51-39)29-25-23-28(24-26-29)42-43-41(32-14-3-6-19-36(32)47-42)34-16-5-8-21-38(34)52-43/h1-26H
InChIKeyNBOHFTUTMSUVAU-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

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

6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 163548746) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
PubChem CID163548746
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c5oc5ccccc56)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1
InChIInChI=1S/C46H26N4O2/c1-2-13-30-27(11-1)12-9-17-31(30)45-48-44(49-46(50-45)35-18-10-22-39-40(35)33-15-4-7-20-37(33)51-39)29-25-23-28(24-26-29)42-43-41(32-14-3-6-19-36(32)47-42)34-16-5-8-21-38(34)52-43/h1-26H
InChIKeyNBOHFTUTMSUVAU-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 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline with MolForge

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Related Compounds

14-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124541
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
6-[4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155019029
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
6-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline
CID 155018612
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;6-phenyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 158962614
6-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 155018983
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085978
2-naphthalen-1-yl-4-(4-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742716

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline (CID 163548746) is 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline is c1ccc2c(-c3nc(-c4ccc(-c5nc6ccccc6c6c5oc5ccccc56)cc4)nc(-c4cccc5oc6ccccc6c45)n3)cccc2c1.
What is the InChIKey of 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline?
The InChIKey is NBOHFTUTMSUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-13-30-27(11-1)12-9-17-31(30)45-48-44(49-46(50-45)35-18-10-22-39-40(35)33-15-4-7-20-37(33)51-39)29-25-23-28(24-26-29)42-43-41(32-14-3-6-19-36(32)47-42)34-16-5-8-21-38(34)52-43/h1-26H.
What are the key properties of 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline?
6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline 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 6-[4-(4-dibenzofuran-1-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 163548746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).