4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine

C42H26N4O2 — CID 163854354

IUPAC4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2N=C(c3cncc4oc5ccccc5c34)N=C(c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)N2)cc1
InChIInChI=1S/C42H26N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)33-23-43-24-37-39(33)32-16-7-9-19-35(32)48-37)30-22-21-28(26-13-4-5-14-27(26)30)29-17-10-20-36-38(29)31-15-6-8-18-34(31)47-36/h1-24,40H,(H,44,45,46)
InChIKeyOXAYWXZAKSYWEE-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.20
Rot. Bonds4

About 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine

4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 163854354) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID163854354
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2N=C(c3cncc4oc5ccccc5c34)N=C(c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)N2)cc1
InChIInChI=1S/C42H26N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)33-23-43-24-37-39(33)32-16-7-9-19-35(32)48-37)30-22-21-28(26-13-4-5-14-27(26)30)29-17-10-20-36-38(29)31-15-6-8-18-34(31)47-36/h1-24,40H,(H,44,45,46)
InChIKeyOXAYWXZAKSYWEE-UHFFFAOYSA-N
XLogP10.20
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163426501
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 172508090
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
9-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 171736813
4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801524
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine (CID 163854354) is 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc(C2N=C(c3cncc4oc5ccccc5c34)N=C(c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)N2)cc1.
What is the InChIKey of 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is OXAYWXZAKSYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)33-23-43-24-37-39(33)32-16-7-9-19-35(32)48-37)30-22-21-28(26-13-4-5-14-27(26)30)29-17-10-20-36-38(29)31-15-6-8-18-34(31)47-36/h1-24,40H,(H,44,45,46).
What are the key properties of 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine?
4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 618.70 g/mol, XLogP of 10.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 163854354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).