2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine

C49H29N3O2 — CID 177112498

IUPAC2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C49H29N3O2/c1-3-14-31(15-4-1)35-25-27-39(43-37-19-9-11-21-41(37)53-45(35)43)48-50-47(34-24-23-30-13-7-8-18-33(30)29-34)51-49(52-48)40-28-26-36(32-16-5-2-6-17-32)46-44(40)38-20-10-12-22-42(38)54-46/h1-29H
InChIKeyKLFSRMFAHZSIFW-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 177112498) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID177112498
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C49H29N3O2/c1-3-14-31(15-4-1)35-25-27-39(43-37-19-9-11-21-41(37)53-45(35)43)48-50-47(34-24-23-30-13-7-8-18-33(30)29-34)51-49(52-48)40-28-26-36(32-16-5-2-6-17-32)46-44(40)38-20-10-12-22-42(38)54-46/h1-29H
InChIKeyKLFSRMFAHZSIFW-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-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-naphthalen-2-yl-4-[4-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(7-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163770991
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 177112498) is 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c3c2oc2ccccc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is KLFSRMFAHZSIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-14-31(15-4-1)35-25-27-39(43-37-19-9-11-21-41(37)53-45(35)43)48-50-47(34-24-23-30-13-7-8-18-33(30)29-34)51-49(52-48)40-28-26-36(32-16-5-2-6-17-32)46-44(40)38-20-10-12-22-42(38)54-46/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-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-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177112498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).