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

C49H33N3O2 — CID 163865537

IUPAC2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4oc4c(-c6cccc7oc8cc9ccccc9cc8c67)cccc45)cc3)N2)cc1
InChIInChI=1S/C49H33N3O2/c1-3-12-31(13-4-1)47-50-48(32-14-5-2-6-15-32)52-49(51-47)33-26-24-30(25-27-33)36-18-9-21-39-40-22-10-20-38(46(40)54-45(36)39)37-19-11-23-42-44(37)41-28-34-16-7-8-17-35(34)29-43(41)53-42/h1-29,47,49,51H,(H,50,52)
InChIKeyPGHLTEBHTQEKIZ-UHFFFAOYSA-N
MW695.82 g/mol
LogP12.31
Rot. Bonds5

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

2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 163865537) has the molecular formula C49H33N3O2 and a molecular weight of 695.82 g/mol. Its IUPAC name is 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID163865537
Molecular FormulaC49H33N3O2
Molecular Weight695.82 g/mol
Exact Mass695.26
IUPAC Name2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4oc4c(-c6cccc7oc8cc9ccccc9cc8c67)cccc45)cc3)N2)cc1
InChIInChI=1S/C49H33N3O2/c1-3-12-31(13-4-1)47-50-48(32-14-5-2-6-15-32)52-49(51-47)33-26-24-30(25-27-33)36-18-9-21-39-40-22-10-20-38(46(40)54-45(36)39)37-19-11-23-42-44(37)41-28-34-16-7-8-17-35(34)29-43(41)53-42/h1-29,47,49,51H,(H,50,52)
InChIKeyPGHLTEBHTQEKIZ-UHFFFAOYSA-N
XLogP12.31
TPSA62.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.82
LogP ≤ 512.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
10-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166800247
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
9-[4-phenyl-2-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801692
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 163865537) is 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5c4oc4c(-c6cccc7oc8cc9ccccc9cc8c67)cccc45)cc3)N2)cc1.
What is the InChIKey of 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is PGHLTEBHTQEKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O2/c1-3-12-31(13-4-1)47-50-48(32-14-5-2-6-15-32)52-49(51-47)33-26-24-30(25-27-33)36-18-9-21-39-40-22-10-20-38(46(40)54-45(36)39)37-19-11-23-42-44(37)41-28-34-16-7-8-17-35(34)29-43(41)53-42/h1-29,47,49,51H,(H,50,52).
What are the key properties of 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 695.82 g/mol, XLogP of 12.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 163865537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).