5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole

C63H38N4S — CID 155450731

IUPAC5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5sc5ccccc56)n4)c4ccccc4c3-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C63H38N4S/c1-2-15-39(16-3-1)41-29-32-42(33-30-41)53-38-55(47-21-8-9-24-50(47)59(53)67-56-27-12-10-22-48(56)54-36-44-19-6-7-20-45(44)37-57(54)67)63-65-61(46-34-31-40-17-4-5-18-43(40)35-46)64-62(66-63)52-26-14-25-51-49-23-11-13-28-58(49)68-60(51)52/h1-38H
InChIKeyVXOPCAKSSDBENB-UHFFFAOYSA-N
MW883.09 g/mol
LogP17.13
Rot. Bonds6

About 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole

5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 155450731) has the molecular formula C63H38N4S and a molecular weight of 883.09 g/mol. Its IUPAC name is 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID155450731
Molecular FormulaC63H38N4S
Molecular Weight883.09 g/mol
Exact Mass882.28
IUPAC Name5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5sc5ccccc56)n4)c4ccccc4c3-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C63H38N4S/c1-2-15-39(16-3-1)41-29-32-42(33-30-41)53-38-55(47-21-8-9-24-50(47)59(53)67-56-27-12-10-22-48(56)54-36-44-19-6-7-20-45(44)37-57(54)67)63-65-61(46-34-31-40-17-4-5-18-43(40)35-46)64-62(66-63)52-26-14-25-51-49-23-11-13-28-58(49)68-60(51)52/h1-38H
InChIKeyVXOPCAKSSDBENB-UHFFFAOYSA-N
XLogP17.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.09
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole with MolForge

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Related Compounds

12-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-6-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450460
5-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(3-phenylphenyl)phenyl]benzo[b]carbazole
CID 155450024
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
5-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155451004
12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155451060
5-[5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621293
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090
5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 170412246
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole (CID 155450731) is 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6c5sc5ccccc56)n4)c4ccccc4c3-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is VXOPCAKSSDBENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4S/c1-2-15-39(16-3-1)41-29-32-42(33-30-41)53-38-55(47-21-8-9-24-50(47)59(53)67-56-27-12-10-22-48(56)54-36-44-19-6-7-20-45(44)37-57(54)67)63-65-61(46-34-31-40-17-4-5-18-43(40)35-46)64-62(66-63)52-26-14-25-51-49-23-11-13-28-58(49)68-60(51)52/h1-38H.
What are the key properties of 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole?
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 883.09 g/mol, XLogP of 17.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155450731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).