9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole

C69H42F2N6 — CID 88878738

IUPAC9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4cc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)ccc4c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc43)n2)cc1
InChIInChI=1S/C69H42F2N6/c70-51-28-19-46(20-29-51)67-72-68(47-21-30-52(71)31-22-47)74-69(73-67)77-65-41-50(45-23-32-53(33-24-45)75-61-17-9-7-15-55(61)57-35-25-48(39-63(57)75)43-11-3-1-4-12-43)27-37-59(65)60-38-34-54(42-66(60)77)76-62-18-10-8-16-56(62)58-36-26-49(40-64(58)76)44-13-5-2-6-14-44/h1-42H
InChIKeyYXVKVIYRHNXKNR-UHFFFAOYSA-N
MW993.13 g/mol
LogP17.78
Rot. Bonds8

About 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole

9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole (PubChem CID 88878738) has the molecular formula C69H42F2N6 and a molecular weight of 993.13 g/mol. Its IUPAC name is 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
PubChem CID88878738
Molecular FormulaC69H42F2N6
Molecular Weight993.13 g/mol
Exact Mass992.34
IUPAC Name9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4cc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)ccc4c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc43)n2)cc1
InChIInChI=1S/C69H42F2N6/c70-51-28-19-46(20-29-51)67-72-68(47-21-30-52(71)31-22-47)74-69(73-67)77-65-41-50(45-23-32-53(33-24-45)75-61-17-9-7-15-55(61)57-35-25-48(39-63(57)75)43-11-3-1-4-12-43)27-37-59(65)60-38-34-54(42-66(60)77)76-62-18-10-8-16-56(62)58-36-26-49(40-64(58)76)44-13-5-2-6-14-44/h1-42H
InChIKeyYXVKVIYRHNXKNR-UHFFFAOYSA-N
XLogP17.78
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.13
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]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 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole (CID 88878738) is 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-n3c4cc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cc5)ccc4c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc43)n2)cc1.
What is the InChIKey of 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?
The InChIKey is YXVKVIYRHNXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F2N6/c70-51-28-19-46(20-29-51)67-72-68(47-21-30-52(71)31-22-47)74-69(73-67)77-65-41-50(45-23-32-53(33-24-45)75-61-17-9-7-15-55(61)57-35-25-48(39-63(57)75)43-11-3-1-4-12-43)27-37-59(65)60-38-34-54(42-66(60)77)76-62-18-10-8-16-56(62)58-36-26-49(40-64(58)76)44-13-5-2-6-14-44/h1-42H.
What are the key properties of 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?
9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole has a molecular weight of 993.13 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-2-(2-phenylcarbazol-9-yl)-7-[4-(2-phenylcarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 88878738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).