2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine

C45H27N3O — CID 176616923

IUPAC2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(oc6ccccc65)c4-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C45H27N3O/c1-4-12-31-25-34(20-17-28(31)9-1)41-39(24-23-38-37-15-7-8-16-40(37)49-42(38)41)45-47-43(35-21-18-29-10-2-5-13-32(29)26-35)46-44(48-45)36-22-19-30-11-3-6-14-33(30)27-36/h1-27H
InChIKeyBVUDNUVFRMCMQV-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 176616923) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID176616923
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(oc6ccccc65)c4-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C45H27N3O/c1-4-12-31-25-34(20-17-28(31)9-1)41-39(24-23-38-37-15-7-8-16-40(37)49-42(38)41)45-47-43(35-21-18-29-10-2-5-13-32(29)26-35)46-44(48-45)36-22-19-30-11-3-6-14-33(30)27-36/h1-27H
InChIKeyBVUDNUVFRMCMQV-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-2-yldibenzofuran-3-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176616921
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-(3-methyldibenzofuran-4-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 176757340
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927072
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 170211931
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-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine (CID 176616923) is 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(oc6ccccc65)c4-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is BVUDNUVFRMCMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-4-12-31-25-34(20-17-28(31)9-1)41-39(24-23-38-37-15-7-8-16-40(37)49-42(38)41)45-47-43(35-21-18-29-10-2-5-13-32(29)26-35)46-44(48-45)36-22-19-30-11-3-6-14-33(30)27-36/h1-27H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 176616923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).