12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C63H41FN6O — CID 167048552

IUPAC12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESCOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccn3)cc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1
InChIInChI=1S/C63H41FN6O/c1-71-56-28-15-22-46(42-18-6-3-7-19-42)58(56)57-51(23-14-24-52(57)64)62-66-61(44-31-29-43(30-32-44)53-25-12-13-39-65-53)67-63(68-62)70-55-27-11-9-21-48(55)50-38-37-49-47-20-8-10-26-54(47)69(59(49)60(50)70)45-35-33-41(34-36-45)40-16-4-2-5-17-40/h2-39H,1H3
InChIKeyCLLPAIORIKCMNM-UHFFFAOYSA-N
MW917.06 g/mol
LogP15.61
Rot. Bonds9

About 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole

12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 167048552) has the molecular formula C63H41FN6O and a molecular weight of 917.06 g/mol. Its IUPAC name is 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID167048552
Molecular FormulaC63H41FN6O
Molecular Weight917.06 g/mol
Exact Mass916.33
IUPAC Name12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESCOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccn3)cc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1
InChIInChI=1S/C63H41FN6O/c1-71-56-28-15-22-46(42-18-6-3-7-19-42)58(56)57-51(23-14-24-52(57)64)62-66-61(44-31-29-43(30-32-44)53-25-12-13-39-65-53)67-63(68-62)70-55-27-11-9-21-48(55)50-38-37-49-47-20-8-10-26-54(47)69(59(49)60(50)70)45-35-33-41(34-36-45)40-16-4-2-5-17-40/h2-39H,1H3
InChIKeyCLLPAIORIKCMNM-UHFFFAOYSA-N
XLogP15.61
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.06
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 167048552) is 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is COc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccn3)cc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1.
What is the InChIKey of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is CLLPAIORIKCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41FN6O/c1-71-56-28-15-22-46(42-18-6-3-7-19-42)58(56)57-51(23-14-24-52(57)64)62-66-61(44-31-29-43(30-32-44)53-25-12-13-39-65-53)67-63(68-62)70-55-27-11-9-21-48(55)50-38-37-49-47-20-8-10-26-54(47)69(59(49)60(50)70)45-35-33-41(34-36-45)40-16-4-2-5-17-40/h2-39H,1H3.
What are the key properties of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 917.06 g/mol, XLogP of 15.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167048552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).