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

C59H35N3OS — CID 165038235

IUPAC2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)c5ccccc45)c4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C59H35N3OS/c1-3-13-36(14-4-1)37-23-25-38(26-24-37)43-29-31-49(55-51-33-40-17-7-8-18-41(40)34-52(51)63-56(43)55)46-30-32-50(45-20-10-9-19-44(45)46)59-61-57(39-15-5-2-6-16-39)60-58(62-59)42-27-28-48-47-21-11-12-22-53(47)64-54(48)35-42/h1-35H
InChIKeyGKZXLWUDRRZTOH-UHFFFAOYSA-N
MW834.02 g/mol
LogP16.45
Rot. Bonds6

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

2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 165038235) has the molecular formula C59H35N3OS and a molecular weight of 834.02 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
PubChem CID165038235
Molecular FormulaC59H35N3OS
Molecular Weight834.02 g/mol
Exact Mass833.25
IUPAC Name2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)c5ccccc45)c4c3oc3cc5ccccc5cc34)cc2)cc1
InChIInChI=1S/C59H35N3OS/c1-3-13-36(14-4-1)37-23-25-38(26-24-37)43-29-31-49(55-51-33-40-17-7-8-18-41(40)34-52(51)63-56(43)55)46-30-32-50(45-20-10-9-19-44(45)46)59-61-57(39-15-5-2-6-16-39)60-58(62-59)42-27-28-48-47-21-11-12-22-53(47)64-54(48)35-42/h1-35H
InChIKeyGKZXLWUDRRZTOH-UHFFFAOYSA-N
XLogP16.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.02
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2-[4-(4-dibenzothiophen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166975065
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 164991903
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-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 165062826
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine (CID 165038235) is 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)sc6ccccc67)n5)c5ccccc45)c4c3oc3cc5ccccc5cc34)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is GKZXLWUDRRZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3OS/c1-3-13-36(14-4-1)37-23-25-38(26-24-37)43-29-31-49(55-51-33-40-17-7-8-18-41(40)34-52(51)63-56(43)55)46-30-32-50(45-20-10-9-19-44(45)46)59-61-57(39-15-5-2-6-16-39)60-58(62-59)42-27-28-48-47-21-11-12-22-53(47)64-54(48)35-42/h1-35H.
What are the key properties of 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 834.02 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-phenyl-6-[4-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 165038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).