11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole

C45H26N4OS — CID 129225740

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-24-29(23-35-32-19-9-12-22-41(32)51-42(35)36)49-37-20-10-7-17-30(37)33-26-40-34(25-38(33)49)31-18-8-11-21-39(31)50-40/h1-26H
InChIKeyPYTAURFKWPDRFO-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 129225740) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
PubChem CID129225740
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-24-29(23-35-32-19-9-12-22-41(32)51-42(35)36)49-37-20-10-7-17-30(37)33-26-40-34(25-38(33)49)31-18-8-11-21-39(31)50-40/h1-26H
InChIKeyPYTAURFKWPDRFO-UHFFFAOYSA-N
XLogP12.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 170228249
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
9-(4-dibenzofuran-1-yldibenzothiophen-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139555563
11-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 155160182
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]carbazole
CID 146294792
5-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]-7-phenylindolo[2,3-b]carbazole
CID 146294816
11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154269
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 130265782
11-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 147613320
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 159774163

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole (CID 129225740) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is PYTAURFKWPDRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)36-24-29(23-35-32-19-9-12-22-41(32)51-42(35)36)49-37-20-10-7-17-30(37)33-26-40-34(25-38(33)49)31-18-8-11-21-39(31)50-40/h1-26H.
What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole?
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 670.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 129225740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).