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

C45H32N4OS — CID 163977561

IUPAC9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
SMILESc1ccc(C2NC(c3ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c3)NC(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C45H32N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-18-34-32-16-6-9-23-40(32)51-42(34)35)28-24-25-30-29-14-4-7-20-36(29)49(38(30)26-28)37-21-11-17-33-31-15-5-8-22-39(31)50-41(33)37/h1-26,43-48H
InChIKeySVNDTBWRYIQPDL-UHFFFAOYSA-N
MW676.85 g/mol
LogP11.23
Rot. Bonds4

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

9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole (PubChem CID 163977561) has the molecular formula C45H32N4OS and a molecular weight of 676.85 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
PubChem CID163977561
Molecular FormulaC45H32N4OS
Molecular Weight676.85 g/mol
Exact Mass676.23
IUPAC Name9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
SMILESc1ccc(C2NC(c3ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c3)NC(c3cccc4c3sc3ccccc34)N2)cc1
InChIInChI=1S/C45H32N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-18-34-32-16-6-9-23-40(32)51-42(34)35)28-24-25-30-29-14-4-7-20-36(29)49(38(30)26-28)37-21-11-17-33-31-15-5-8-22-39(31)50-41(33)37/h1-26,43-48H
InChIKeySVNDTBWRYIQPDL-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

N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158563
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158582
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159532
7-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159533
14-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159534
5-Dibenzothiophen-2-yl-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160010
2-Dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
CID 155160159
(E)-4-[3,5-difluoro-4-[6-fluoro-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]but-3-en-2-one;(E)-4-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-1-yl]phenyl]but-3-en-2-one;(E)-4-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-1-yl]phenyl]but-3-en-2-one;(E)-4-[4-[2-(2,2-difluoropropyl)-3-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-1-yl]-3,5-difluorophenyl]but-3-en-2-one
CID 158677542
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine
CID 168814321
N-dibenzothiophen-4-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]dibenzofuran-4-amine
CID 168814337
9-Fluoro-4-[3-(1-methyldibenzofuran-4-yl)-1,2-dihydrobenzimidazol-2-yl]-[1]benzothiolo[2,3-b]quinoline
CID 156667524

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
The IUPAC name of 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole (CID 163977561) is 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole is c1ccc(C2NC(c3ccc4c5ccccc5n(-c5cccc6c5oc5ccccc56)c4c3)NC(c3cccc4c3sc3ccccc34)N2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
The InChIKey is SVNDTBWRYIQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4OS/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-18-34-32-16-6-9-23-40(32)51-42(34)35)28-24-25-30-29-14-4-7-20-36(29)49(38(30)26-28)37-21-11-17-33-31-15-5-8-22-39(31)50-41(33)37/h1-26,43-48H.
What are the key properties of 9-dibenzofuran-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole?
9-dibenzofuran-4-yl-2-(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-4-yl-2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole is sourced from PubChem (CID 163977561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).