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

C64H42FN5O — CID 167048555

IUPAC12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESCOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccccc5)cc4)c32)n1
InChIInChI=1S/C64H42FN5O/c1-71-57-30-16-25-48(45-21-9-4-10-22-45)60(57)58-52(26-15-27-53(58)65)63-66-62(46-33-31-43(32-34-46)41-17-5-2-6-18-41)67-64(68-63)70-54-28-13-11-23-49(54)50-39-40-56-59(61(50)70)51-24-12-14-29-55(51)69(56)47-37-35-44(36-38-47)42-19-7-3-8-20-42/h2-40H,1H3
InChIKeyQDFTXZJUCQISAF-UHFFFAOYSA-N
MW916.07 g/mol
LogP16.22
Rot. Bonds9

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

12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 167048555) has the molecular formula C64H42FN5O and a molecular weight of 916.07 g/mol. Its IUPAC name is 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID167048555
Molecular FormulaC64H42FN5O
Molecular Weight916.07 g/mol
Exact Mass915.34
IUPAC Name12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
SMILESCOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccccc5)cc4)c32)n1
InChIInChI=1S/C64H42FN5O/c1-71-57-30-16-25-48(45-21-9-4-10-22-45)60(57)58-52(26-15-27-53(58)65)63-66-62(46-33-31-43(32-34-46)41-17-5-2-6-18-41)67-64(68-63)70-54-28-13-11-23-49(54)50-39-40-56-59(61(50)70)51-24-12-14-29-55(51)69(56)47-37-35-44(36-38-47)42-19-7-3-8-20-42/h2-40H,1H3
InChIKeyQDFTXZJUCQISAF-UHFFFAOYSA-N
XLogP16.22
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.07
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole (CID 167048555) is 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole is COc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccccc5)cc4)c32)n1.
What is the InChIKey of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is QDFTXZJUCQISAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42FN5O/c1-71-57-30-16-25-48(45-21-9-4-10-22-45)60(57)58-52(26-15-27-53(58)65)63-66-62(46-33-31-43(32-34-46)41-17-5-2-6-18-41)67-64(68-63)70-54-28-13-11-23-49(54)50-39-40-56-59(61(50)70)51-24-12-14-29-55(51)69(56)47-37-35-44(36-38-47)42-19-7-3-8-20-42/h2-40H,1H3.
What are the key properties of 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole?
12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 916.07 g/mol, XLogP of 16.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[3-fluoro-2-(2-methoxy-6-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 167048555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).