8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C52H30N4S2 — CID 58099675

IUPAC8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccncc5c5cnccc54)cccc23)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c1
InChIInChI=1S/C52H30N4S2/c1-2-12-32(36-16-8-18-38-40-20-10-24-48(52(40)58-50(36)38)56-45-25-27-53-29-41(45)42-30-54-28-26-46(42)56)31(11-1)35-15-7-17-37-39-19-9-23-47(51(39)57-49(35)37)55-43-21-5-3-13-33(43)34-14-4-6-22-44(34)55/h1-30H
InChIKeyRBUZILIFHLAXBM-UHFFFAOYSA-N
MW774.97 g/mol
LogP14.74
Rot. Bonds4

About 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58099675) has the molecular formula C52H30N4S2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58099675
Molecular FormulaC52H30N4S2
Molecular Weight774.97 g/mol
Exact Mass774.19
IUPAC Name8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccncc5c5cnccc54)cccc23)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c1
InChIInChI=1S/C52H30N4S2/c1-2-12-32(36-16-8-18-38-40-20-10-24-48(52(40)58-50(36)38)56-45-25-27-53-29-41(45)42-30-54-28-26-46(42)56)31(11-1)35-15-7-17-37-39-19-9-23-47(51(39)57-49(35)37)55-43-21-5-3-13-33(43)34-14-4-6-22-44(34)55/h1-30H
InChIKeyRBUZILIFHLAXBM-UHFFFAOYSA-N
XLogP14.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

diphenyl-(6-pyrido[4,3-b]indol-5-yldibenzofuran-4-yl)-(6-pyrido[4,3-b]indol-5-yldibenzothiophen-4-yl)silane
CID 140811584
9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine
CID 159979274
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694
5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59480516
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
5-[9,9,10,10,24,24,25,25-octamethyl-13,21,28-tris(pyrido[4,3-b]indol-5-yl)-2,17-dithia-9,10,24,25-tetrasilaheptacyclo[24.4.0.03,8.04,30.011,16.015,19.018,23]triaconta-1(30),3,5,7,11,13,15,18,20,22,26,28-dodecaen-6-yl]pyrido[4,3-b]indole
CID 140731847
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pyrido[4,3-b]indole
CID 176634765
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
9-[6-(2-carbazol-9-ylphenyl)-2-quinoxalin-5-yldibenzothiophen-4-yl]carbazole
CID 58099822
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
4-dibenzothiophen-4-yl-24-phenyl-15-thia-4,8,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),6,8,12,17(25),18,20,22,26-dodecaene
CID 149359320

Frequently Asked Questions

What is the IUPAC name of 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58099675) is 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cccc3c2sc2c(-n4c5ccncc5c5cnccc54)cccc23)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c1.
What is the InChIKey of 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is RBUZILIFHLAXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4S2/c1-2-12-32(36-16-8-18-38-40-20-10-24-48(52(40)58-50(36)38)56-45-25-27-53-29-41(45)42-30-54-28-26-46(42)56)31(11-1)35-15-7-17-37-39-19-9-23-47(51(39)57-49(35)37)55-43-21-5-3-13-33(43)34-14-4-6-22-44(34)55/h1-30H.
What are the key properties of 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 774.97 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).