12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole

C195H125N13OS — CID 160894283

IUPAC12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C69H45N5.C63H40N4O.C63H40N4S/c1-6-20-46(21-7-1)48-34-38-52(39-35-48)67-70-68(53-40-36-49(37-41-53)47-22-8-2-9-23-47)72-69(71-67)54-44-60(50-24-10-3-11-25-50)64(61(45-54)51-26-12-4-13-27-51)74-63-33-19-17-31-57(63)59-43-42-58-56-30-16-18-32-62(56)73(65(58)66(59)74)55-28-14-5-15-29-55;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-54(45-21-9-3-10-22-45)58(55(40-49)46-23-11-4-12-24-46)67-56-27-15-13-25-50(56)52-37-38-53-51-26-14-16-28-57(51)68-60(53)59(52)67;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-53(45-21-9-3-10-22-45)59(54(40-49)46-23-11-4-12-24-46)67-55-27-15-13-26-52(55)58-56(67)38-37-51-50-25-14-16-28-57(50)68-60(51)58/h1-45H;2*1-40H
InChIKeySOQYHMMTDPMJMD-UHFFFAOYSA-N
MW2698.30 g/mol
LogP51.28
Rot. Bonds25

About 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole

12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 160894283) has the molecular formula C195H125N13OS and a molecular weight of 2698.30 g/mol. Its IUPAC name is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID160894283
Molecular FormulaC195H125N13OS
Molecular Weight2698.30 g/mol
Exact Mass2695.99
IUPAC Name12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C69H45N5.C63H40N4O.C63H40N4S/c1-6-20-46(21-7-1)48-34-38-52(39-35-48)67-70-68(53-40-36-49(37-41-53)47-22-8-2-9-23-47)72-69(71-67)54-44-60(50-24-10-3-11-25-50)64(61(45-54)51-26-12-4-13-27-51)74-63-33-19-17-31-57(63)59-43-42-58-56-30-16-18-32-62(56)73(65(58)66(59)74)55-28-14-5-15-29-55;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-54(45-21-9-3-10-22-45)58(55(40-49)46-23-11-4-12-24-46)67-56-27-15-13-25-50(56)52-37-38-53-51-26-14-16-28-57(51)68-60(53)59(52)67;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-53(45-21-9-3-10-22-45)59(54(40-49)46-23-11-4-12-24-46)67-55-27-15-13-26-52(55)58-56(67)38-37-51-50-25-14-16-28-57(50)68-60(51)58/h1-45H;2*1-40H
InChIKeySOQYHMMTDPMJMD-UHFFFAOYSA-N
XLogP51.28
TPSA148.87 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002698.30
LogP ≤ 551.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole (CID 160894283) is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c(-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is SOQYHMMTDPMJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5.C63H40N4O.C63H40N4S/c1-6-20-46(21-7-1)48-34-38-52(39-35-48)67-70-68(53-40-36-49(37-41-53)47-22-8-2-9-23-47)72-69(71-67)54-44-60(50-24-10-3-11-25-50)64(61(45-54)51-26-12-4-13-27-51)74-63-33-19-17-31-57(63)59-43-42-58-56-30-16-18-32-62(56)73(65(58)66(59)74)55-28-14-5-15-29-55;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-54(45-21-9-3-10-22-45)58(55(40-49)46-23-11-4-12-24-46)67-56-27-15-13-25-50(56)52-37-38-53-51-26-14-16-28-57(51)68-60(53)59(52)67;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-53(45-21-9-3-10-22-45)59(54(40-49)46-23-11-4-12-24-46)67-55-27-15-13-26-52(55)58-56(67)38-37-51-50-25-14-16-28-57(50)68-60(51)58/h1-45H;2*1-40H.
What are the key properties of 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 2698.30 g/mol, XLogP of 51.28, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 160894283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).