12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole

C55H32N6OS — CID 134352636

IUPAC12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccco4)cc3c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ncnc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c54)ccc32)cc1
InChIInChI=1S/C55H32N6OS/c1-2-11-35(12-3-1)59-47-25-20-33(49-18-10-28-62-49)29-42(47)43-31-36(22-26-48(43)59)60-45-16-7-4-13-37(45)40-23-24-41-38-14-5-8-17-46(38)61(53(41)52(40)60)55-57-32-56-54(58-55)34-21-27-51-44(30-34)39-15-6-9-19-50(39)63-51/h1-32H
InChIKeyYLOASRXKBIFVEU-UHFFFAOYSA-N
MW824.97 g/mol
LogP14.46
Rot. Bonds5

About 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole

12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole (PubChem CID 134352636) has the molecular formula C55H32N6OS and a molecular weight of 824.97 g/mol. Its IUPAC name is 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole
PubChem CID134352636
Molecular FormulaC55H32N6OS
Molecular Weight824.97 g/mol
Exact Mass824.24
IUPAC Name12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccco4)cc3c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ncnc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c54)ccc32)cc1
InChIInChI=1S/C55H32N6OS/c1-2-11-35(12-3-1)59-47-25-20-33(49-18-10-28-62-49)29-42(47)43-31-36(22-26-48(43)59)60-45-16-7-4-13-37(45)40-23-24-41-38-14-5-8-17-46(38)61(53(41)52(40)60)55-57-32-56-54(58-55)34-21-27-51-44(30-34)39-15-6-9-19-50(39)63-51/h1-32H
InChIKeyYLOASRXKBIFVEU-UHFFFAOYSA-N
XLogP14.46
TPSA66.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.97
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole (CID 134352636) is 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole is c1ccc(-n2c3ccc(-c4ccco4)cc3c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ncnc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c54)ccc32)cc1.
What is the InChIKey of 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole?
The InChIKey is YLOASRXKBIFVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6OS/c1-2-11-35(12-3-1)59-47-25-20-33(49-18-10-28-62-49)29-42(47)43-31-36(22-26-48(43)59)60-45-16-7-4-13-37(45)40-23-24-41-38-14-5-8-17-46(38)61(53(41)52(40)60)55-57-32-56-54(58-55)34-21-27-51-44(30-34)39-15-6-9-19-50(39)63-51/h1-32H.
What are the key properties of 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole?
12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole has a molecular weight of 824.97 g/mol, XLogP of 14.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)-11-[6-(furan-2-yl)-9-phenylcarbazol-3-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 134352636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).