6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine

C153H90N8S3 — CID 160839103

IUPAC6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2nccc3c2sc2ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc23)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3sc3ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3sc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc21
InChIInChI=1S/C59H35N3S.C53H31N3S.C41H24N2S/c1-2-16-43-41(14-1)42-15-3-4-17-44(42)50-33-37(24-27-45(43)50)36-12-11-13-38(32-36)58-59-49(30-31-60-58)52-35-40(26-29-57(52)63-59)62-55-23-10-7-20-48(55)51-34-39(25-28-56(51)62)61-53-21-8-5-18-46(53)47-19-6-9-22-54(47)61;1-2-13-37-35(11-1)36-12-3-4-14-38(36)44-29-32(21-24-39(37)44)52-53-43(27-28-54-52)46-31-34(23-26-51(46)57-53)56-49-20-10-7-17-42(49)45-30-33(22-25-50(45)56)55-47-18-8-5-15-40(47)41-16-6-9-19-48(41)55;1-2-11-29-27(9-1)28-10-3-4-12-30(28)35-23-25(17-19-31(29)35)40-41-34(21-22-42-40)36-24-26(18-20-39(36)44-41)43-37-15-7-5-13-32(37)33-14-6-8-16-38(33)43/h1-35H;1-31H;1-24H
InChIKeySHUFBOPPYCTNBR-UHFFFAOYSA-N
MW2136.66 g/mol
LogP42.88
Rot. Bonds9

About 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine

6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 160839103) has the molecular formula C153H90N8S3 and a molecular weight of 2136.66 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
PubChem CID160839103
Molecular FormulaC153H90N8S3
Molecular Weight2136.66 g/mol
Exact Mass2134.65
IUPAC Name6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2nccc3c2sc2ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc23)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3sc3ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3sc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc21
InChIInChI=1S/C59H35N3S.C53H31N3S.C41H24N2S/c1-2-16-43-41(14-1)42-15-3-4-17-44(42)50-33-37(24-27-45(43)50)36-12-11-13-38(32-36)58-59-49(30-31-60-58)52-35-40(26-29-57(52)63-59)62-55-23-10-7-20-48(55)51-34-39(25-28-56(51)62)61-53-21-8-5-18-46(53)47-19-6-9-22-54(47)61;1-2-13-37-35(11-1)36-12-3-4-14-38(36)44-29-32(21-24-39(37)44)52-53-43(27-28-54-52)46-31-34(23-26-51(46)57-53)56-49-20-10-7-17-42(49)45-30-33(22-25-50(45)56)55-47-18-8-5-15-40(47)41-16-6-9-19-48(41)55;1-2-11-29-27(9-1)28-10-3-4-12-30(28)35-23-25(17-19-31(29)35)40-41-34(21-22-42-40)36-24-26(18-20-39(36)44-41)43-37-15-7-5-13-32(37)33-14-6-8-16-38(33)43/h1-35H;1-31H;1-24H
InChIKeySHUFBOPPYCTNBR-UHFFFAOYSA-N
XLogP42.88
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002136.66
LogP ≤ 542.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

1-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413726
3-(3-carbazol-9-ylcarbazol-9-yl)-1-phenyl-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 158166610
21-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-23-thia-20-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154600125
3,9-bis(9-phenylcarbazol-3-yl)carbazole;1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
CID 159771301
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole
CID 146379800
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-c]pyridine;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine
CID 158485722
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-c]pyridine;3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-c]pyridine;9-(3-triphenylen-2-ylphenyl)carbazole;11-(3-triphenylen-2-ylphenyl)phenanthro[9,10-b]pyridine
CID 161206982
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine (CID 160839103) is 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2nccc3c2sc2ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc23)c1.c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3sc3ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc34)ccc21.c1ccc2c(c1)c1ccccc1c1cc(-c3nccc4c3sc3ccc(-n5c6ccccc6c6ccccc65)cc34)ccc21.
What is the InChIKey of 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is SHUFBOPPYCTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3S.C53H31N3S.C41H24N2S/c1-2-16-43-41(14-1)42-15-3-4-17-44(42)50-33-37(24-27-45(43)50)36-12-11-13-38(32-36)58-59-49(30-31-60-58)52-35-40(26-29-57(52)63-59)62-55-23-10-7-20-48(55)51-34-39(25-28-56(51)62)61-53-21-8-5-18-46(53)47-19-6-9-22-54(47)61;1-2-13-37-35(11-1)36-12-3-4-14-38(36)44-29-32(21-24-39(37)44)52-53-43(27-28-54-52)46-31-34(23-26-51(46)57-53)56-49-20-10-7-17-42(49)45-30-33(22-25-50(45)56)55-47-18-8-5-15-40(47)41-16-6-9-19-48(41)55;1-2-11-29-27(9-1)28-10-3-4-12-30(28)35-23-25(17-19-31(29)35)40-41-34(21-22-42-40)36-24-26(18-20-39(36)44-41)43-37-15-7-5-13-32(37)33-14-6-8-16-38(33)43/h1-35H;1-31H;1-24H.
What are the key properties of 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine?
6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 2136.66 g/mol, XLogP of 42.88, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbazol-9-ylcarbazol-9-yl)-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine;6-(3-carbazol-9-ylcarbazol-9-yl)-1-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine;6-carbazol-9-yl-1-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 160839103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).