9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole

C45H32N4OS — CID 163880691

IUPAC9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
SMILESc1ccc(C2NC(c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)NC(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C45H32N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)35-17-10-16-34-33-15-6-9-20-41(33)51-42(34)35)28-21-24-38-36(25-28)30-13-4-7-18-37(30)49(38)29-22-23-32-31-14-5-8-19-39(31)50-40(32)26-29/h1-26,43-48H
InChIKeyPSYFLMGCOFMAGX-UHFFFAOYSA-N
MW676.85 g/mol
LogP11.23
Rot. Bonds4

About 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole

9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole (PubChem CID 163880691) has the molecular formula C45H32N4OS and a molecular weight of 676.85 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
PubChem CID163880691
Molecular FormulaC45H32N4OS
Molecular Weight676.85 g/mol
Exact Mass676.23
IUPAC Name9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
SMILESc1ccc(C2NC(c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)NC(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C45H32N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)35-17-10-16-34-33-15-6-9-20-41(33)51-42(34)35)28-21-24-38-36(25-28)30-13-4-7-18-37(30)49(38)29-22-23-32-31-14-5-8-19-39(31)50-40(32)26-29/h1-26,43-48H
InChIKeyPSYFLMGCOFMAGX-UHFFFAOYSA-N
XLogP11.23
TPSA54.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.85
LogP ≤ 511.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-dibenzofuran-4-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541811
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 163467703
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
2-dibenzofuran-1-yl-4-(7-dibenzothiophen-4-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazinane
CID 146541752
2-(6-dibenzofuran-3-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146542356
2-(8-dibenzofuran-2-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541786
9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 163867295
2-dibenzofuran-4-yl-4-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazinane
CID 146542425
9-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)carbazole
CID 146664194
12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
CID 164963553
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
3-[9-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497220

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
The IUPAC name of 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole (CID 163880691) is 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole.
What is the SMILES notation for 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
The canonical SMILES for 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole is c1ccc(C2NC(c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)NC(c3cccc4c3sc3ccccc34)N2)cc1.
What is the InChIKey of 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
The InChIKey is PSYFLMGCOFMAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4OS/c1-2-11-27(12-3-1)43-46-44(48-45(47-43)35-17-10-16-34-33-15-6-9-20-41(33)51-42(34)35)28-21-24-38-36(25-28)30-13-4-7-18-37(30)49(38)29-22-23-32-31-14-5-8-19-39(31)50-40(32)26-29/h1-26,43-48H.
What are the key properties of 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole has a molecular weight of 676.85 g/mol, XLogP of 11.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole is sourced from PubChem (CID 163880691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).