5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C108H64N8O2S — CID 165086375

IUPAC5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)n2)cc1
InChIInChI=1S/C57H34N4O.C51H30N4OS/c1-3-16-35(17-4-1)38-26-15-27-44-45-32-33-51-52(54(45)62-53(38)44)46-24-11-13-28-49(46)61(51)50-29-14-12-25-47(50)57-59-55(36-18-5-2-6-19-36)58-56(60-57)37-30-31-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)48(43)34-37;1-3-14-31(15-4-1)34-21-13-22-37-38-28-29-43-46(48(38)56-47(34)37)39-19-7-10-23-41(39)55(43)42-24-11-8-20-40(42)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-36-35-18-9-12-25-44(35)57-45(36)30-33/h1-34H;1-30H
InChIKeyVZAAHNBXBRJGSK-UHFFFAOYSA-N
MW1537.82 g/mol
LogP28.90
Rot. Bonds10

About 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 165086375) has the molecular formula C108H64N8O2S and a molecular weight of 1537.82 g/mol. Its IUPAC name is 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID165086375
Molecular FormulaC108H64N8O2S
Molecular Weight1537.82 g/mol
Exact Mass1536.49
IUPAC Name5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)n2)cc1
InChIInChI=1S/C57H34N4O.C51H30N4OS/c1-3-16-35(17-4-1)38-26-15-27-44-45-32-33-51-52(54(45)62-53(38)44)46-24-11-13-28-49(46)61(51)50-29-14-12-25-47(50)57-59-55(36-18-5-2-6-19-36)58-56(60-57)37-30-31-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)48(43)34-37;1-3-14-31(15-4-1)34-21-13-22-37-38-28-29-43-46(48(38)56-47(34)37)39-19-7-10-23-41(39)55(43)42-24-11-8-20-40(42)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-36-35-18-9-12-25-44(35)57-45(36)30-33/h1-34H;1-30H
InChIKeyVZAAHNBXBRJGSK-UHFFFAOYSA-N
XLogP28.90
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.82
LogP ≤ 528.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158212770
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole
CID 146541321
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 157241593
9-[2-(4-dibenzofuran-1-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534463
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496709
12-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 164953755
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
7-phenyl-14-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-phenyl-14-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 165003957

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 165086375) is 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3-n3c4ccccc4c4c5oc6c(-c7ccccc7)cccc6c5ccc43)n2)cc1.
What is the InChIKey of 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VZAAHNBXBRJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O.C51H30N4OS/c1-3-16-35(17-4-1)38-26-15-27-44-45-32-33-51-52(54(45)62-53(38)44)46-24-11-13-28-49(46)61(51)50-29-14-12-25-47(50)57-59-55(36-18-5-2-6-19-36)58-56(60-57)37-30-31-43-41-22-8-7-20-39(41)40-21-9-10-23-42(40)48(43)34-37;1-3-14-31(15-4-1)34-21-13-22-37-38-28-29-43-46(48(38)56-47(34)37)39-19-7-10-23-41(39)55(43)42-24-11-8-20-40(42)51-53-49(32-16-5-2-6-17-32)52-50(54-51)33-26-27-36-35-18-9-12-25-44(35)57-45(36)30-33/h1-34H;1-30H.
What are the key properties of 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1537.82 g/mol, XLogP of 28.90, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzofuro[3,2-c]carbazole;11-phenyl-5-[2-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 165086375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).