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

C51H30FN5O — CID 168809454

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
SMILESFc1ccccc1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)cc2c1oc1ccccc12
InChIInChI=1S/C51H30FN5O/c52-42-23-11-7-19-34(42)40-29-33(30-41-37-22-10-14-26-45(37)58-48(40)41)56-43-24-12-8-20-35(43)38-27-28-39-36-21-9-13-25-44(36)57(47(39)46(38)56)51-54-49(31-15-3-1-4-16-31)53-50(55-51)32-17-5-2-6-18-32/h1-30H
InChIKeySAQZUXFMCOKRNS-UHFFFAOYSA-N
MW747.83 g/mol
LogP13.11
Rot. Bonds5

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809454) has the molecular formula C51H30FN5O and a molecular weight of 747.83 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
PubChem CID168809454
Molecular FormulaC51H30FN5O
Molecular Weight747.83 g/mol
Exact Mass747.24
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
SMILESFc1ccccc1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)cc2c1oc1ccccc12
InChIInChI=1S/C51H30FN5O/c52-42-23-11-7-19-34(42)40-29-33(30-41-37-22-10-14-26-45(37)58-48(40)41)56-43-24-12-8-20-35(43)38-27-28-39-36-21-9-13-25-44(36)57(47(39)46(38)56)51-54-49(31-15-3-1-4-16-31)53-50(55-51)32-17-5-2-6-18-32/h1-30H
InChIKeySAQZUXFMCOKRNS-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

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 25139629
CID 25139629
CID 162652217
CID 162652217
CID 72203954
CID 72203954
CID 72203962
CID 72203962
CID 177129224
CID 177129224
CID 71699623
CID 71699623
CID 72205262
CID 72205262
CID 59348257
CID 59348257
CID 58511053
CID 58511053
CID 59358466
CID 59358466
CID 59359359
CID 59359359
CID 66585365
CID 66585365

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (CID 168809454) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is Fc1ccccc1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c32)cc2c1oc1ccccc12.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The InChIKey is SAQZUXFMCOKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5O/c52-42-23-11-7-19-34(42)40-29-33(30-41-37-22-10-14-26-45(37)58-48(40)41)56-43-24-12-8-20-35(43)38-27-28-39-36-21-9-13-25-44(36)57(47(39)46(38)56)51-54-49(31-15-3-1-4-16-31)53-50(55-51)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(2-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).