9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole

C63H40N4S — CID 172500199

IUPAC9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)n3)c(-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C63H40N4S/c1-5-19-41(20-6-1)45-37-38-53(56(40-45)67-54-34-17-30-48(42-21-7-2-8-22-42)58(54)59-49(31-18-35-55(59)67)43-23-9-3-10-24-43)63-65-61(44-25-11-4-12-26-44)64-62(66-63)47-28-15-27-46(39-47)50-32-16-33-52-51-29-13-14-36-57(51)68-60(50)52/h1-40H
InChIKeyFBVDLHGFDDLLRD-UHFFFAOYSA-N
MW885.11 g/mol
LogP17.01
Rot. Bonds8

About 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole

9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole (PubChem CID 172500199) has the molecular formula C63H40N4S and a molecular weight of 885.11 g/mol. Its IUPAC name is 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole
PubChem CID172500199
Molecular FormulaC63H40N4S
Molecular Weight885.11 g/mol
Exact Mass884.30
IUPAC Name9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)n3)c(-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C63H40N4S/c1-5-19-41(20-6-1)45-37-38-53(56(40-45)67-54-34-17-30-48(42-21-7-2-8-22-42)58(54)59-49(31-18-35-55(59)67)43-23-9-3-10-24-43)63-65-61(44-25-11-4-12-26-44)64-62(66-63)47-28-15-27-46(39-47)50-32-16-33-52-51-29-13-14-36-57(51)68-60(50)52/h1-40H
InChIKeyFBVDLHGFDDLLRD-UHFFFAOYSA-N
XLogP17.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.11
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
CID 168831689
[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
CID 172500167
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500190
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
9-[5-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500204

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole?
The IUPAC name of 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole (CID 172500199) is 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole.
What is the SMILES notation for 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole?
The canonical SMILES for 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)n3)c(-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)c2)cc1.
What is the InChIKey of 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole?
The InChIKey is FBVDLHGFDDLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4S/c1-5-19-41(20-6-1)45-37-38-53(56(40-45)67-54-34-17-30-48(42-21-7-2-8-22-42)58(54)59-49(31-18-35-55(59)67)43-23-9-3-10-24-43)63-65-61(44-25-11-4-12-26-44)64-62(66-63)47-28-15-27-46(39-47)50-32-16-33-52-51-29-13-14-36-57(51)68-60(50)52/h1-40H.
What are the key properties of 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole?
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole has a molecular weight of 885.11 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole is sourced from PubChem (CID 172500199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).