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

C49H29N3OS — CID 165062826

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c4c3oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-13-30(14-4-1)32-19-11-20-35(27-32)36-25-26-39(44-41-28-33-17-7-8-18-34(33)29-42(41)53-45(36)44)48-50-47(31-15-5-2-6-16-31)51-49(52-48)40-23-12-22-38-37-21-9-10-24-43(37)54-46(38)40/h1-29H
InChIKeyHBLOHSYRSNVYNW-UHFFFAOYSA-N
MW707.86 g/mol
LogP13.63
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine (PubChem CID 165062826) has the molecular formula C49H29N3OS and a molecular weight of 707.86 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
PubChem CID165062826
Molecular FormulaC49H29N3OS
Molecular Weight707.86 g/mol
Exact Mass707.20
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c4c3oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C49H29N3OS/c1-3-13-30(14-4-1)32-19-11-20-35(27-32)36-25-26-39(44-41-28-33-17-7-8-18-34(33)29-42(41)53-45(36)44)48-50-47(31-15-5-2-6-16-31)51-49(52-48)40-23-12-22-38-37-21-9-10-24-43(37)54-46(38)40/h1-29H
InChIKeyHBLOHSYRSNVYNW-UHFFFAOYSA-N
XLogP13.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-dibenzothiophen-4-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166974662
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-[2-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-1,3,5-triazine
CID 164964254
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 165066144
2-dibenzothiophen-4-yl-4-(4-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176786080
9-dibenzothiophen-4-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502732
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzothiophen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 164989697
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-[2-(3-dibenzothiophen-4-ylphenyl)-5-phenylphenyl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549065

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine (CID 165062826) is 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5sc5ccccc56)n4)c4c3oc3cc5ccccc5cc34)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The InChIKey is HBLOHSYRSNVYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-3-13-30(14-4-1)32-19-11-20-35(27-32)36-25-26-39(44-41-28-33-17-7-8-18-34(33)29-42(41)53-45(36)44)48-50-47(31-15-5-2-6-16-31)51-49(52-48)40-23-12-22-38-37-21-9-10-24-43(37)54-46(38)40/h1-29H.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine has a molecular weight of 707.86 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 165062826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).