12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole

C51H30FN5O — CID 168809448

IUPAC12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)c5c43)n2)cc1
InChIInChI=1S/C51H30FN5O/c52-34-25-23-33(24-26-34)50-53-49(32-15-5-2-6-16-32)54-51(55-50)57-44-21-11-8-18-37(44)40-28-27-39-36-17-7-10-20-43(36)56(46(39)47(40)57)35-29-41(31-13-3-1-4-14-31)48-42(30-35)38-19-9-12-22-45(38)58-48/h1-30H
InChIKeyWEBCUYXBFJOJFB-UHFFFAOYSA-N
MW747.83 g/mol
LogP13.11
Rot. Bonds5

About 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole

12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole (PubChem CID 168809448) has the molecular formula C51H30FN5O and a molecular weight of 747.83 g/mol. Its IUPAC name is 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole
PubChem CID168809448
Molecular FormulaC51H30FN5O
Molecular Weight747.83 g/mol
Exact Mass747.24
IUPAC Name12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)c5c43)n2)cc1
InChIInChI=1S/C51H30FN5O/c52-34-25-23-33(24-26-34)50-53-49(32-15-5-2-6-16-32)54-51(55-50)57-44-21-11-8-18-37(44)40-28-27-39-36-17-7-10-20-43(36)56(46(39)47(40)57)35-29-41(31-13-3-1-4-14-31)48-42(30-35)38-19-9-12-22-45(38)58-48/h1-30H
InChIKeyWEBCUYXBFJOJFB-UHFFFAOYSA-N
XLogP13.11
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.83
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole (CID 168809448) is 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole is Fc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(-c7ccccc7)c7oc8ccccc8c7c6)c5c43)n2)cc1.
What is the InChIKey of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole?
The InChIKey is WEBCUYXBFJOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5O/c52-34-25-23-33(24-26-34)50-53-49(32-15-5-2-6-16-32)54-51(55-50)57-44-21-11-8-18-37(44)40-28-27-39-36-17-7-10-20-43(36)56(46(39)47(40)57)35-29-41(31-13-3-1-4-14-31)48-42(30-35)38-19-9-12-22-45(38)58-48/h1-30H.
What are the key properties of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole?
12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole has a molecular weight of 747.83 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenyldibenzofuran-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 168809448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).