9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole

C51H32N4OS — CID 166962153

IUPAC9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4sc5cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c7c6)c5c4c3)=N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-27-46-41(29-34)48-36(18-11-21-47(48)57-46)33-22-26-44-40(28-33)39-25-24-35(30-45(39)56-44)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30,49H,(H,52,53,54)
InChIKeyJYPSXZHGSHBOBF-UHFFFAOYSA-N
MW748.91 g/mol
LogP13.21
Rot. Bonds5

About 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole

9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole (PubChem CID 166962153) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
PubChem CID166962153
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3ccc4sc5cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c7c6)c5c4c3)=N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-27-46-41(29-34)48-36(18-11-21-47(48)57-46)33-22-26-44-40(28-33)39-25-24-35(30-45(39)56-44)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30,49H,(H,52,53,54)
InChIKeyJYPSXZHGSHBOBF-UHFFFAOYSA-N
XLogP13.21
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
6-(9-dibenzofuran-2-ylcarbazol-3-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327299
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
9-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-3-yl]-2-phenylcarbazole
CID 166961473
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
CID 146665133
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561

Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole (CID 166962153) is 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3ccc4sc5cccc(-c6ccc7oc8cc(-n9c%10ccccc%10c%10ccccc%109)ccc8c7c6)c5c4c3)=N2)cc1.
What is the InChIKey of 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is JYPSXZHGSHBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-27-46-41(29-34)48-36(18-11-21-47(48)57-46)33-22-26-44-40(28-33)39-25-24-35(30-45(39)56-44)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30,49H,(H,52,53,54).
What are the key properties of 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole?
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 748.91 g/mol, XLogP of 13.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 166962153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).