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

C54H44FN5 — CID 167267914

IUPAC12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)c2cccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5c43)c2C(C)(C)C1(C)C
InChIInChI=1S/C54H44FN5/c1-52(2)41-26-18-25-37(46(41)53(3,4)54(52,5)6)34-21-11-15-28-43(34)59-44-29-16-12-22-35(44)38-31-32-39-36-23-13-17-30-45(36)60(48(39)47(38)59)51-57-49(33-19-8-7-9-20-33)56-50(58-51)40-24-10-14-27-42(40)55/h7-32H,1-6H3
InChIKeyCGBOYAXITUIKQG-UHFFFAOYSA-N
MW781.98 g/mol
LogP13.80
Rot. Bonds5

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

12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 167267914) has the molecular formula C54H44FN5 and a molecular weight of 781.98 g/mol. Its IUPAC name is 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID167267914
Molecular FormulaC54H44FN5
Molecular Weight781.98 g/mol
Exact Mass781.36
IUPAC Name12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)c2cccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5c43)c2C(C)(C)C1(C)C
InChIInChI=1S/C54H44FN5/c1-52(2)41-26-18-25-37(46(41)53(3,4)54(52,5)6)34-21-11-15-28-43(34)59-44-29-16-12-22-35(44)38-31-32-39-36-23-13-17-30-45(36)60(48(39)47(38)59)51-57-49(33-19-8-7-9-20-33)56-50(58-51)40-24-10-14-27-42(40)55/h7-32H,1-6H3
InChIKeyCGBOYAXITUIKQG-UHFFFAOYSA-N
XLogP13.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.98
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole (CID 167267914) is 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole is CC1(C)c2cccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5c43)c2C(C)(C)C1(C)C.
What is the InChIKey of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is CGBOYAXITUIKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44FN5/c1-52(2)41-26-18-25-37(46(41)53(3,4)54(52,5)6)34-21-11-15-28-43(34)59-44-29-16-12-22-35(44)38-31-32-39-36-23-13-17-30-45(36)60(48(39)47(38)59)51-57-49(33-19-8-7-9-20-33)56-50(58-51)40-24-10-14-27-42(40)55/h7-32H,1-6H3.
What are the key properties of 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 781.98 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167267914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).