5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole

C58H36F2N6O — CID 174272167

IUPAC5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(C7=CC=CCC7)cc(-c7ccc8oc(-c9ccccc9)nc8c7)c6)c5c43)n2)cc1
InChIInChI=1S/C58H36F2N6O/c59-42-24-19-36(20-25-42)55-62-56(37-21-26-43(60)27-22-37)64-58(63-55)66-51-18-10-8-16-46(51)48-29-28-47-45-15-7-9-17-50(45)65(53(47)54(48)66)44-32-40(35-11-3-1-4-12-35)31-41(33-44)39-23-30-52-49(34-39)61-57(67-52)38-13-5-2-6-14-38/h1-3,5-11,13-34H,4,12H2
InChIKeyLEODGCQDRIUZIQ-UHFFFAOYSA-N
MW870.96 g/mol
LogP14.89
Rot. Bonds7

About 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole

5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 174272167) has the molecular formula C58H36F2N6O and a molecular weight of 870.96 g/mol. Its IUPAC name is 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole
PubChem CID174272167
Molecular FormulaC58H36F2N6O
Molecular Weight870.96 g/mol
Exact Mass870.29
IUPAC Name5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(C7=CC=CCC7)cc(-c7ccc8oc(-c9ccccc9)nc8c7)c6)c5c43)n2)cc1
InChIInChI=1S/C58H36F2N6O/c59-42-24-19-36(20-25-42)55-62-56(37-21-26-43(60)27-22-37)64-58(63-55)66-51-18-10-8-16-46(51)48-29-28-47-45-15-7-9-17-50(45)65(53(47)54(48)66)44-32-40(35-11-3-1-4-12-35)31-41(33-44)39-23-30-52-49(34-39)61-57(67-52)38-13-5-2-6-14-38/h1-3,5-11,13-34H,4,12H2
InChIKeyLEODGCQDRIUZIQ-UHFFFAOYSA-N
XLogP14.89
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.96
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole (CID 174272167) is 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cc(C7=CC=CCC7)cc(-c7ccc8oc(-c9ccccc9)nc8c7)c6)c5c43)n2)cc1.
What is the InChIKey of 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is LEODGCQDRIUZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36F2N6O/c59-42-24-19-36(20-25-42)55-62-56(37-21-26-43(60)27-22-37)64-58(63-55)66-51-18-10-8-16-46(51)48-29-28-47-45-15-7-9-17-50(45)65(53(47)54(48)66)44-32-40(35-11-3-1-4-12-35)31-41(33-44)39-23-30-52-49(34-39)61-57(67-52)38-13-5-2-6-14-38/h1-3,5-11,13-34H,4,12H2.
What are the key properties of 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole?
5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 870.96 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 174272167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).