9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C55H32N4OS — CID 163768926

IUPAC9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4c(-c6cc7c8ccccc8sc7c7ccccc67)cccc45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)53-56-54(58-55(57-53)59-47-25-9-6-17-37(47)38-18-7-10-26-48(38)59)44-24-13-22-41-40-21-12-23-42(50(40)60-51(41)44)45-32-46-39-19-8-11-27-49(39)61-52(46)43-20-5-4-16-36(43)45/h1-32H
InChIKeyMUVARSDXFJCNEQ-UHFFFAOYSA-N
MW796.96 g/mol
LogP15.06
Rot. Bonds5

About 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 163768926) has the molecular formula C55H32N4OS and a molecular weight of 796.96 g/mol. Its IUPAC name is 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID163768926
Molecular FormulaC55H32N4OS
Molecular Weight796.96 g/mol
Exact Mass796.23
IUPAC Name9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4c(-c6cc7c8ccccc8sc7c7ccccc67)cccc45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)53-56-54(58-55(57-53)59-47-25-9-6-17-37(47)38-18-7-10-26-48(38)59)44-24-13-22-41-40-21-12-23-42(50(40)60-51(41)44)45-32-46-39-19-8-11-27-49(39)61-52(46)43-20-5-4-16-36(43)45/h1-32H
InChIKeyMUVARSDXFJCNEQ-UHFFFAOYSA-N
XLogP15.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.96
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953055
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743231
2-dibenzofuran-4-yl-4-naphtho[1,2-b][1]benzothiol-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163544939
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]pyrido[2,3-b]indole
CID 156577689
9-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 166952650
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 163425573

Frequently Asked Questions

What is the IUPAC name of 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 163768926) is 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4c(-c6cc7c8ccccc8sc7c7ccccc67)cccc45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.
What is the InChIKey of 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is MUVARSDXFJCNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)53-56-54(58-55(57-53)59-47-25-9-6-17-37(47)38-18-7-10-26-48(38)59)44-24-13-22-41-40-21-12-23-42(50(40)60-51(41)44)45-32-46-39-19-8-11-27-49(39)61-52(46)43-20-5-4-16-36(43)45/h1-32H.
What are the key properties of 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 796.96 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 163768926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).