9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole

C51H32N4S2 — CID 170086538

IUPAC9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)sc3cccc(-c5cccc6sc7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c56)c34)C2C=C1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-25-27-39-45(29-33)56-43-23-11-19-37(47(39)43)38-20-12-24-44-48(38)40-28-26-34(30-46(40)57-44)55-41-21-9-7-17-35(41)36-18-8-10-22-42(36)55/h1-30,35,41H
InChIKeyNWJNKWOPSLJCSP-UHFFFAOYSA-N
MW764.98 g/mol
LogP14.01
Rot. Bonds5

About 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole

9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole (PubChem CID 170086538) has the molecular formula C51H32N4S2 and a molecular weight of 764.98 g/mol. Its IUPAC name is 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole
PubChem CID170086538
Molecular FormulaC51H32N4S2
Molecular Weight764.98 g/mol
Exact Mass764.21
IUPAC Name9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole
SMILESC1=CC2c3ccccc3N(c3ccc4c(c3)sc3cccc(-c5cccc6sc7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c56)c34)C2C=C1
InChIInChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-25-27-39-45(29-33)56-43-23-11-19-37(47(39)43)38-20-12-24-44-48(38)40-28-26-34(30-46(40)57-44)55-41-21-9-7-17-35(41)36-18-8-10-22-42(36)55/h1-30,35,41H
InChIKeyNWJNKWOPSLJCSP-UHFFFAOYSA-N
XLogP14.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.98
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-1-yl]-4a,9a-dihydrocarbazole
CID 166962394
9-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4a,9a-dihydrocarbazole
CID 166918873
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
2-[7-(4a,11b-dihydrobenzo[b]carbazol-5-yl)dibenzothiophen-1-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 170118100
2-carbazol-9-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenyl-6-(6-phenyl-4a,9a-dihydrocarbazol-9-yl)carbazole
CID 159841599
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782

Frequently Asked Questions

What is the IUPAC name of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole?
The IUPAC name of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole (CID 170086538) is 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole is C1=CC2c3ccccc3N(c3ccc4c(c3)sc3cccc(-c5cccc6sc7cc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)ccc7c56)c34)C2C=C1.
What is the InChIKey of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole?
The InChIKey is NWJNKWOPSLJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-25-27-39-45(29-33)56-43-23-11-19-37(47(39)43)38-20-12-24-44-48(38)40-28-26-34(30-46(40)57-44)55-41-21-9-7-17-35(41)36-18-8-10-22-42(36)55/h1-30,35,41H.
What are the key properties of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole?
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole has a molecular weight of 764.98 g/mol, XLogP of 14.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]-4a,9a-dihydrocarbazole is sourced from PubChem (CID 170086538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).