2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C49H29N3O2 — CID 169048923

IUPAC2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c(-c6cccc7ccc8c9ccccc9oc8c67)cccc45)cc3)n2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-12-32(13-4-1)47-50-48(33-14-5-2-6-15-33)52-49(51-47)34-26-24-30(25-27-34)35-18-10-21-39-40-22-11-20-38(45(40)54-44(35)39)37-19-9-16-31-28-29-41-36-17-7-8-23-42(36)53-46(41)43(31)37/h1-29H
InChIKeyVXDUVACOGIGPFN-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 169048923) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID169048923
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c(-c6cccc7ccc8c9ccccc9oc8c67)cccc45)cc3)n2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-12-32(13-4-1)47-50-48(33-14-5-2-6-15-33)52-49(51-47)34-26-24-30(25-27-34)35-18-10-21-39-40-22-11-20-38(45(40)54-44(35)39)37-19-9-16-31-28-29-41-36-17-7-8-23-42(36)53-46(41)43(31)37/h1-29H
InChIKeyVXDUVACOGIGPFN-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139447245
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
2-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171435962
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 169048923) is 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4c(-c6cccc7ccc8c9ccccc9oc8c67)cccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VXDUVACOGIGPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-12-32(13-4-1)47-50-48(33-14-5-2-6-15-33)52-49(51-47)34-26-24-30(25-27-34)35-18-10-21-39-40-22-11-20-38(45(40)54-44(35)39)37-19-9-16-31-28-29-41-36-17-7-8-23-42(36)53-46(41)43(31)37/h1-29H.
What are the key properties of 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-naphtho[1,2-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 169048923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).