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

C55H33N3OS — CID 165066144

IUPAC2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4c(-c5ccccc5-c5ccccc5)ccc5oc6cc7ccccc7cc6c45)n3)cc2)cc1
InChIInChI=1S/C55H33N3OS/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53-56-54(45-24-13-23-44-42-22-11-12-25-49(42)60-52(44)45)58-55(57-53)51-43(41-21-10-9-20-40(41)36-16-5-2-6-17-36)30-31-47-50(51)46-32-38-18-7-8-19-39(38)33-48(46)59-47/h1-33H
InChIKeyZWXOVDODNYSRFT-UHFFFAOYSA-N
MW783.96 g/mol
LogP15.29
Rot. Bonds6

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

2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine (PubChem CID 165066144) has the molecular formula C55H33N3OS and a molecular weight of 783.96 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
PubChem CID165066144
Molecular FormulaC55H33N3OS
Molecular Weight783.96 g/mol
Exact Mass783.23
IUPAC Name2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4c(-c5ccccc5-c5ccccc5)ccc5oc6cc7ccccc7cc6c45)n3)cc2)cc1
InChIInChI=1S/C55H33N3OS/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53-56-54(45-24-13-23-44-42-22-11-12-25-49(42)60-52(44)45)58-55(57-53)51-43(41-21-10-9-20-40(41)36-16-5-2-6-17-36)30-31-47-50(51)46-32-38-18-7-8-19-39(38)33-48(46)59-47/h1-33H
InChIKeyZWXOVDODNYSRFT-UHFFFAOYSA-N
XLogP15.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.96
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-[4-(3-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;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;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 164964252
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-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
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-4-yl-4-(4-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176786080
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[2-(8-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 140946239
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723733
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
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-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4c(-c5ccccc5-c5ccccc5)ccc5oc6cc7ccccc7cc6c45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The InChIKey is ZWXOVDODNYSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3OS/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53-56-54(45-24-13-23-44-42-22-11-12-25-49(42)60-52(44)45)58-55(57-53)51-43(41-21-10-9-20-40(41)36-16-5-2-6-17-36)30-31-47-50(51)46-32-38-18-7-8-19-39(38)33-48(46)59-47/h1-33H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine has a molecular weight of 783.96 g/mol, XLogP of 15.29, 6 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-(4-phenylphenyl)-6-[2-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 165066144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).