2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C42H27N3O — CID 176757340

IUPAC2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCc1ccc2c(oc3ccccc32)c1-c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C42H27N3O/c1-26-14-23-36-35-12-6-7-13-37(35)46-39(36)38(26)29-17-19-30(20-18-29)40-43-41(33-21-15-27-8-2-4-10-31(27)24-33)45-42(44-40)34-22-16-28-9-3-5-11-32(28)25-34/h2-25H,1H3
InChIKeyUQRISLHPXNGCPB-UHFFFAOYSA-N
MW589.70 g/mol
LogP11.05
Rot. Bonds4

About 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 176757340) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID176757340
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCc1ccc2c(oc3ccccc32)c1-c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C42H27N3O/c1-26-14-23-36-35-12-6-7-13-37(35)46-39(36)38(26)29-17-19-30(20-18-29)40-43-41(33-21-15-27-8-2-4-10-31(27)24-33)45-42(44-40)34-22-16-28-9-3-5-11-32(28)25-34/h2-25H,1H3
InChIKeyUQRISLHPXNGCPB-UHFFFAOYSA-N
XLogP11.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 176616923
2-(4-naphthalen-2-yldibenzofuran-3-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176616921
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
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-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176757249
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 176757340) is 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is Cc1ccc2c(oc3ccccc32)c1-c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is UQRISLHPXNGCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-26-14-23-36-35-12-6-7-13-37(35)46-39(36)38(26)29-17-19-30(20-18-29)40-43-41(33-21-15-27-8-2-4-10-31(27)24-33)45-42(44-40)34-22-16-28-9-3-5-11-32(28)25-34/h2-25H,1H3.
What are the key properties of 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 589.70 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 176757340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).