4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine

C42H28N4O — CID 155450617

IUPAC4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine
SMILESCNc1cc(-c2ccccc2)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3oc3ccccc34)n2)c2ccccc12
InChIInChI=1S/C42H28N4O/c1-43-36-25-35(27-13-3-2-4-14-27)38(32-18-8-7-16-30(32)36)42-45-40(29-23-22-26-12-5-6-15-28(26)24-29)44-41(46-42)34-20-11-19-33-31-17-9-10-21-37(31)47-39(33)34/h2-25,43H,1H3
InChIKeyRGCKWFPCBWDXTO-UHFFFAOYSA-N
MW604.71 g/mol
LogP10.79
Rot. Bonds5

About 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine

4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine (PubChem CID 155450617) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine
PubChem CID155450617
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC Name4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine
SMILESCNc1cc(-c2ccccc2)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3oc3ccccc34)n2)c2ccccc12
InChIInChI=1S/C42H28N4O/c1-43-36-25-35(27-13-3-2-4-14-27)38(32-18-8-7-16-30(32)36)42-45-40(29-23-22-26-12-5-6-15-28(26)24-29)44-41(46-42)34-20-11-19-33-31-17-9-10-21-37(31)47-39(33)34/h2-25,43H,1H3
InChIKeyRGCKWFPCBWDXTO-UHFFFAOYSA-N
XLogP10.79
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 510.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
12-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450699
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-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 176646982
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481198
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine?
The IUPAC name of 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine (CID 155450617) is 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine?
The canonical SMILES for 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine is CNc1cc(-c2ccccc2)c(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3oc3ccccc34)n2)c2ccccc12.
What is the InChIKey of 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine?
The InChIKey is RGCKWFPCBWDXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-43-36-25-35(27-13-3-2-4-14-27)38(32-18-8-7-16-30(32)36)42-45-40(29-23-22-26-12-5-6-15-28(26)24-29)44-41(46-42)34-20-11-19-33-31-17-9-10-21-37(31)47-39(33)34/h2-25,43H,1H3.
What are the key properties of 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine?
4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine has a molecular weight of 604.71 g/mol, XLogP of 10.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-methyl-3-phenylnaphthalen-1-amine is sourced from PubChem (CID 155450617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).