4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C43H29N3O2 — CID 146812916

IUPAC4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=Cc2ccc3oc4cc(-c5cccc6c5oc5c(C7N=C(c8ccccc8)NC(c8ccccc8)=N7)cccc56)ccc4c3c2CC1
InChIInChI=1S/C43H29N3O2/c1-3-12-27(13-4-1)41-44-42(28-14-5-2-6-15-28)46-43(45-41)35-20-10-19-33-32-18-9-17-31(39(32)48-40(33)35)29-21-23-34-37(25-29)47-36-24-22-26-11-7-8-16-30(26)38(34)36/h1-7,9-15,17-25,43H,8,16H2,(H,44,45,46)
InChIKeySAMUXRPEBHVRQZ-UHFFFAOYSA-N
MW619.72 g/mol
LogP10.61
Rot. Bonds4

About 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 146812916) has the molecular formula C43H29N3O2 and a molecular weight of 619.72 g/mol. Its IUPAC name is 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID146812916
Molecular FormulaC43H29N3O2
Molecular Weight619.72 g/mol
Exact Mass619.23
IUPAC Name4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=Cc2ccc3oc4cc(-c5cccc6c5oc5c(C7N=C(c8ccccc8)NC(c8ccccc8)=N7)cccc56)ccc4c3c2CC1
InChIInChI=1S/C43H29N3O2/c1-3-12-27(13-4-1)41-44-42(28-14-5-2-6-15-28)46-43(45-41)35-20-10-19-33-32-18-9-17-31(39(32)48-40(33)35)29-21-23-34-37(25-29)47-36-24-22-26-11-7-8-16-30(26)38(34)36/h1-7,9-15,17-25,43H,8,16H2,(H,44,45,46)
InChIKeySAMUXRPEBHVRQZ-UHFFFAOYSA-N
XLogP10.61
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.72
LogP ≤ 510.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
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-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
2-phenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167143613
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 146812916) is 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is C1=Cc2ccc3oc4cc(-c5cccc6c5oc5c(C7N=C(c8ccccc8)NC(c8ccccc8)=N7)cccc56)ccc4c3c2CC1.
What is the InChIKey of 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is SAMUXRPEBHVRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O2/c1-3-12-27(13-4-1)41-44-42(28-14-5-2-6-15-28)46-43(45-41)35-20-10-19-33-32-18-9-17-31(39(32)48-40(33)35)29-21-23-34-37(25-29)47-36-24-22-26-11-7-8-16-30(26)38(34)36/h1-7,9-15,17-25,43H,8,16H2,(H,44,45,46).
What are the key properties of 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 619.72 g/mol, XLogP of 10.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-9-yl)dibenzofuran-4-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146812916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).