12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene

C42H28N4O2 — CID 163493498

IUPAC12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
SMILESC1=Cc2oc3cc4ccccc4cc3c2C(c2ccccc2C2=NC(c3cccc4oc5ccccc5c34)N=C(c3ccccc3)N2)N1
InChIInChI=1S/C42H28N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)31-18-10-20-34-37(31)30-17-8-9-19-33(30)47-34)29-16-7-6-15-28(29)39-38-32-23-26-13-4-5-14-27(26)24-36(32)48-35(38)21-22-43-39/h1-24,39,42-43H,(H,44,45,46)
InChIKeyQFFDKWRVBNUJDP-UHFFFAOYSA-N
MW620.71 g/mol
LogP9.64
Rot. Bonds4

About 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene

12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene (PubChem CID 163493498) has the molecular formula C42H28N4O2 and a molecular weight of 620.71 g/mol. Its IUPAC name is 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene.

Molecular Properties

Compound Name12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
PubChem CID163493498
Molecular FormulaC42H28N4O2
Molecular Weight620.71 g/mol
Exact Mass620.22
IUPAC Name12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
SMILESC1=Cc2oc3cc4ccccc4cc3c2C(c2ccccc2C2=NC(c3cccc4oc5ccccc5c34)N=C(c3ccccc3)N2)N1
InChIInChI=1S/C42H28N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)31-18-10-20-34-37(31)30-17-8-9-19-33(30)47-34)29-16-7-6-15-28(29)39-38-32-23-26-13-4-5-14-27(26)24-36(32)48-35(38)21-22-43-39/h1-24,39,42-43H,(H,44,45,46)
InChIKeyQFFDKWRVBNUJDP-UHFFFAOYSA-N
XLogP9.64
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.71
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene with MolForge

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Related Compounds

12-[4-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 166799997
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
12-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene
CID 166800209
9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-b]pyridine
CID 166801281
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289
12-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166800195
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970

Frequently Asked Questions

What is the IUPAC name of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene?
The IUPAC name of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene (CID 163493498) is 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene.
What is the SMILES notation for 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene?
The canonical SMILES for 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene is C1=Cc2oc3cc4ccccc4cc3c2C(c2ccccc2C2=NC(c3cccc4oc5ccccc5c34)N=C(c3ccccc3)N2)N1.
What is the InChIKey of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene?
The InChIKey is QFFDKWRVBNUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)31-18-10-20-34-37(31)30-17-8-9-19-33(30)47-34)29-16-7-6-15-28(29)39-38-32-23-26-13-4-5-14-27(26)24-36(32)48-35(38)21-22-43-39/h1-24,39,42-43H,(H,44,45,46).
What are the key properties of 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene?
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene has a molecular weight of 620.71 g/mol, XLogP of 9.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaene is sourced from PubChem (CID 163493498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).