5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole

C103H57N9S4 — CID 146266146

IUPAC5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4cnccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)nc(-c3cc(-c4cnccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C103H57N9S4/c1-2-20-58(21-3-1)101-106-102(73-54-59(38-44-81(73)109-77-30-12-4-26-69(77)93-85(109)46-40-65-61-22-8-16-34-89(61)113-97(65)93)75-56-104-52-50-83(75)111-79-32-14-6-28-71(79)95-87(111)48-42-67-63-24-10-18-36-91(63)115-99(67)95)108-103(107-101)74-55-60(39-45-82(74)110-78-31-13-5-27-70(78)94-86(110)47-41-66-62-23-9-17-35-90(62)114-98(66)94)76-57-105-53-51-84(76)112-80-33-15-7-29-72(80)96-88(112)49-43-68-64-25-11-19-37-92(64)116-100(68)96/h1-57H
InChIKeyGHUNXZOHJRKLQD-UHFFFAOYSA-N
MW1548.92 g/mol
LogP28.86
Rot. Bonds9

About 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole

5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146266146) has the molecular formula C103H57N9S4 and a molecular weight of 1548.92 g/mol. Its IUPAC name is 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID146266146
Molecular FormulaC103H57N9S4
Molecular Weight1548.92 g/mol
Exact Mass1547.36
IUPAC Name5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cc(-c4cnccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)nc(-c3cc(-c4cnccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C103H57N9S4/c1-2-20-58(21-3-1)101-106-102(73-54-59(38-44-81(73)109-77-30-12-4-26-69(77)93-85(109)46-40-65-61-22-8-16-34-89(61)113-97(65)93)75-56-104-52-50-83(75)111-79-32-14-6-28-71(79)95-87(111)48-42-67-63-24-10-18-36-91(63)115-99(67)95)108-103(107-101)74-55-60(39-45-82(74)110-78-31-13-5-27-70(78)94-86(110)47-41-66-62-23-9-17-35-90(62)114-98(66)94)76-57-105-53-51-84(76)112-80-33-15-7-29-72(80)96-88(112)49-43-68-64-25-11-19-37-92(64)116-100(68)96/h1-57H
InChIKeyGHUNXZOHJRKLQD-UHFFFAOYSA-N
XLogP28.86
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001548.92
LogP ≤ 528.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-isocyanophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 153432335
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-fluorophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 170267952
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495517
5-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3-isocyanophenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 153432252
4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664858
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232338
3,6-di(carbazol-9-yl)-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155233234
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 153460399
14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-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 153460114
3-deuterio-9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylcarbazole
CID 172525872
9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-methylphenyl)carbazole
CID 155232875

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (CID 146266146) is 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3cc(-c4cnccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)nc(-c3cc(-c4cnccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)ccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1.
What is the InChIKey of 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is GHUNXZOHJRKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H57N9S4/c1-2-20-58(21-3-1)101-106-102(73-54-59(38-44-81(73)109-77-30-12-4-26-69(77)93-85(109)46-40-65-61-22-8-16-34-89(61)113-97(65)93)75-56-104-52-50-83(75)111-79-32-14-6-28-71(79)95-87(111)48-42-67-63-24-10-18-36-91(63)115-99(67)95)108-103(107-101)74-55-60(39-45-82(74)110-78-31-13-5-27-70(78)94-86(110)47-41-66-62-23-9-17-35-90(62)114-98(66)94)76-57-105-53-51-84(76)112-80-33-15-7-29-72(80)96-88(112)49-43-68-64-25-11-19-37-92(64)116-100(68)96/h1-57H.
What are the key properties of 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1548.92 g/mol, XLogP of 28.86, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-pyridinyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146266146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).