9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole

C45H28N4OS — CID 166961045

IUPAC9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3cc(-c5ccc6sc7ccccc7c6c5)ccc34)=NC(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C45H28N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-37-18-7-4-13-30(37)31-14-5-8-19-38(31)49)35-17-10-16-34-32-23-21-29(26-39(32)50-42(34)35)28-22-24-41-36(25-28)33-15-6-9-20-40(33)51-41/h1-26,45H,(H,46,47,48)
InChIKeyJANDNAANJJDHMX-UHFFFAOYSA-N
MW672.81 g/mol
LogP11.68
Rot. Bonds4

About 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole

9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole (PubChem CID 166961045) has the molecular formula C45H28N4OS and a molecular weight of 672.81 g/mol. Its IUPAC name is 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole
PubChem CID166961045
Molecular FormulaC45H28N4OS
Molecular Weight672.81 g/mol
Exact Mass672.20
IUPAC Name9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3cc(-c5ccc6sc7ccccc7c6c5)ccc34)=NC(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C45H28N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-37-18-7-4-13-30(37)31-14-5-8-19-38(31)49)35-17-10-16-34-32-23-21-29(26-39(32)50-42(34)35)28-22-24-41-36(25-28)33-15-6-9-20-40(33)51-41/h1-26,45H,(H,46,47,48)
InChIKeyJANDNAANJJDHMX-UHFFFAOYSA-N
XLogP11.68
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 511.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole
CID 166961291
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
2-dibenzothiophen-3-yl-6-phenyl-4-(6-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 146407770
9-[6-phenyl-2-(16-phenyl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole
CID 163794974
6-(3-dibenzofuran-4-yl-5-triphenylen-2-ylphenyl)-3-[7-(4-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]dibenzofuran
CID 155257383
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552
9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
CID 174245169
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole (CID 166961045) is 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole is c1ccc(C2=NC(c3cccc4c3oc3cc(-c5ccc6sc7ccccc7c6c5)ccc34)=NC(n3c4ccccc4c4ccccc43)N2)cc1.
What is the InChIKey of 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole?
The InChIKey is JANDNAANJJDHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)49-37-18-7-4-13-30(37)31-14-5-8-19-38(31)49)35-17-10-16-34-32-23-21-29(26-39(32)50-42(34)35)28-22-24-41-36(25-28)33-15-6-9-20-40(33)51-41/h1-26,45H,(H,46,47,48).
What are the key properties of 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole?
9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole has a molecular weight of 672.81 g/mol, XLogP of 11.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166961045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).