6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

C49H35N3O — CID 167403396

IUPAC6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3N=C(c4ccc5c(c4)oc4ccc(-c6ccc7ccccc7c6)cc45)NC(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1
InChIInChI=1S/C49H35N3O/c1-3-9-32(10-4-1)35-15-20-37(21-16-35)47-50-48(38-22-17-36(18-23-38)33-11-5-2-6-12-33)52-49(51-47)42-25-27-43-44-30-41(26-28-45(44)53-46(43)31-42)40-24-19-34-13-7-8-14-39(34)29-40/h1-31,47-48,50H,(H,51,52)
InChIKeyZWOVNVJVDVLOAT-UHFFFAOYSA-N
MW681.84 g/mol
LogP12.08
Rot. Bonds6

About 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 167403396) has the molecular formula C49H35N3O and a molecular weight of 681.84 g/mol. Its IUPAC name is 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID167403396
Molecular FormulaC49H35N3O
Molecular Weight681.84 g/mol
Exact Mass681.28
IUPAC Name6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3N=C(c4ccc5c(c4)oc4ccc(-c6ccc7ccccc7c6)cc45)NC(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1
InChIInChI=1S/C49H35N3O/c1-3-9-32(10-4-1)35-15-20-37(21-16-35)47-50-48(38-22-17-36(18-23-38)33-11-5-2-6-12-33)52-49(51-47)42-25-27-43-44-30-41(26-28-45(44)53-46(43)31-42)40-24-19-34-13-7-8-14-39(34)29-40/h1-31,47-48,50H,(H,51,52)
InChIKeyZWOVNVJVDVLOAT-UHFFFAOYSA-N
XLogP12.08
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 512.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-(8-dibenzofuran-3-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163631665
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2-[10-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenanthren-9-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099126
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
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
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951
4-dibenzofuran-3-yl-6-(8-dibenzothiophen-4-yldibenzofuran-2-yl)-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163881109
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
9-[16-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 146664854
2-(8-dibenzofuran-3-yldibenzofuran-4-yl)-6-dibenzothiophen-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044791
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776

Frequently Asked Questions

What is the IUPAC name of 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 167403396) is 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2ccc(C3N=C(c4ccc5c(c4)oc4ccc(-c6ccc7ccccc7c6)cc45)NC(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1.
What is the InChIKey of 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is ZWOVNVJVDVLOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O/c1-3-9-32(10-4-1)35-15-20-37(21-16-35)47-50-48(38-22-17-36(18-23-38)33-11-5-2-6-12-33)52-49(51-47)42-25-27-43-44-30-41(26-28-45(44)53-46(43)31-42)40-24-19-34-13-7-8-14-39(34)29-40/h1-31,47-48,50H,(H,51,52).
What are the key properties of 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 681.84 g/mol, XLogP of 12.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-naphthalen-2-yldibenzofuran-3-yl)-2,4-bis(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 167403396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).