2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

C47H29N3S — CID 163574454

IUPAC2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-c6ccccc6)ccc6sc7ccccc7c56)n4)ccc3c2)cc1
InChIInChI=1S/C47H29N3S/c1-3-11-30(12-4-1)34-20-21-36-29-38(24-22-35(36)27-34)46-48-45(37-23-19-31-13-7-8-16-33(31)28-37)49-47(50-46)44-39(32-14-5-2-6-15-32)25-26-42-43(44)40-17-9-10-18-41(40)51-42/h1-29H
InChIKeyRBESXBAYLOMSPY-UHFFFAOYSA-N
MW667.84 g/mol
LogP12.88
Rot. Bonds5

About 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 163574454) has the molecular formula C47H29N3S and a molecular weight of 667.84 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID163574454
Molecular FormulaC47H29N3S
Molecular Weight667.84 g/mol
Exact Mass667.21
IUPAC Name2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-c6ccccc6)ccc6sc7ccccc7c56)n4)ccc3c2)cc1
InChIInChI=1S/C47H29N3S/c1-3-11-30(12-4-1)34-20-21-36-29-38(24-22-35(36)27-34)46-48-45(37-23-19-31-13-7-8-16-33(31)28-37)49-47(50-46)44-39(32-14-5-2-6-15-32)25-26-42-43(44)40-17-9-10-18-41(40)51-42/h1-29H
InChIKeyRBESXBAYLOMSPY-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[2-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 160765103
2-[4-[2-(4-phenanthren-2-ylphenyl)dibenzothiophen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142491022
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2,4-diphenyl-6-(2-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 147282825
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177119775
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-(4-naphthalen-2-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine
CID 166042775
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 163574454) is 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5c(-c6ccccc6)ccc6sc7ccccc7c56)n4)ccc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is RBESXBAYLOMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S/c1-3-11-30(12-4-1)34-20-21-36-29-38(24-22-35(36)27-34)46-48-45(37-23-19-31-13-7-8-16-33(31)28-37)49-47(50-46)44-39(32-14-5-2-6-15-32)25-26-42-43(44)40-17-9-10-18-41(40)51-42/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 667.84 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(2-phenyldibenzothiophen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 163574454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).