11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C51H31N5S — CID 171591411

IUPAC11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6sc7c(-n8c9ccccc9c9ccccc98)cccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C51H31N5S/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-40-45(31-34)55(35-19-8-3-9-20-35)43-30-29-39-38-23-14-26-44(47(38)57-48(39)46(40)43)56-41-24-12-10-21-36(41)37-22-11-13-25-42(37)56/h1-31H
InChIKeySWSNVINALVAHOG-UHFFFAOYSA-N
MW745.91 g/mol
LogP13.43
Rot. Bonds5

About 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 171591411) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID171591411
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6sc7c(-n8c9ccccc9c9ccccc98)cccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C51H31N5S/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-40-45(31-34)55(35-19-8-3-9-20-35)43-30-29-39-38-23-14-26-44(47(38)57-48(39)46(40)43)56-41-24-12-10-21-36(41)37-22-11-13-25-42(37)56/h1-31H
InChIKeySWSNVINALVAHOG-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

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-10-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole
CID 171591426
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541392
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole
CID 126580282
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771
6-[4-(9-phenylcarbazol-3-yl)-6-[6-(2-phenylcarbazol-9-yl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol
CID 174171073
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 171591411) is 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5c6sc7c(-n8c9ccccc9c9ccccc98)cccc7c6ccc5n(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is SWSNVINALVAHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-4-15-32(16-5-1)49-52-50(33-17-6-2-7-18-33)54-51(53-49)34-27-28-40-45(31-34)55(35-19-8-3-9-20-35)43-30-29-39-38-23-14-26-44(47(38)57-48(39)46(40)43)56-41-24-12-10-21-36(41)37-22-11-13-25-42(37)56/h1-31H.
What are the key properties of 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole 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 11-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 171591411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).