1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole

C51H31N5S — CID 168807757

IUPAC1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4c3)n2)cc1
InChIInChI=1S/C51H31N5S/c1-3-14-32(15-4-1)49-52-50(54-51(53-49)34-27-29-40-39-20-9-12-25-46(39)57-47(40)31-34)33-26-28-38-36-18-7-11-23-43(36)56(45(38)30-33)44-24-13-21-41-37-19-8-10-22-42(37)55(48(41)44)35-16-5-2-6-17-35/h1-31H
InChIKeyRWGQESCSOVAMOB-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.43
Rot. Bonds5

About 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole

1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (PubChem CID 168807757) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
PubChem CID168807757
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4c3)n2)cc1
InChIInChI=1S/C51H31N5S/c1-3-14-32(15-4-1)49-52-50(54-51(53-49)34-27-29-40-39-20-9-12-25-46(39)57-47(40)31-34)33-26-28-38-36-18-7-11-23-43(36)56(45(38)30-33)44-24-13-21-41-37-19-8-10-22-42(37)55(48(41)44)35-16-5-2-6-17-35/h1-31H
InChIKeyRWGQESCSOVAMOB-UHFFFAOYSA-N
XLogP13.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 168807680
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 147484306
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 166915369
11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170132368
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (CID 168807757) is 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c5ccccc5n(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c4c3)n2)cc1.
What is the InChIKey of 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
The InChIKey is RWGQESCSOVAMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-3-14-32(15-4-1)49-52-50(54-51(53-49)34-27-29-40-39-20-9-12-25-46(39)57-47(40)31-34)33-26-28-38-36-18-7-11-23-43(36)56(45(38)30-33)44-24-13-21-41-37-19-8-10-22-42(37)55(48(41)44)35-16-5-2-6-17-35/h1-31H.
What are the key properties of 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole?
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole has a molecular weight of 745.91 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 168807757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).