2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol

C63H40FN5O — CID 167048570

IUPAC2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c32)n1
InChIInChI=1S/C63H40FN5O/c64-53-29-15-28-52(57(53)58-47(27-16-32-56(58)70)43-21-8-3-9-22-43)62-65-61(44-35-33-42(34-36-44)40-17-4-1-5-18-40)66-63(67-62)69-55-31-13-11-26-49(55)51-38-37-50-48-25-10-12-30-54(48)68(59(50)60(51)69)46-24-14-23-45(39-46)41-19-6-2-7-20-41/h1-39,70H
InChIKeyFHCKQKHEBAVMON-UHFFFAOYSA-N
MW902.05 g/mol
LogP15.91
Rot. Bonds8

About 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol

2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol (PubChem CID 167048570) has the molecular formula C63H40FN5O and a molecular weight of 902.05 g/mol. Its IUPAC name is 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol.

Molecular Properties

Compound Name2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
PubChem CID167048570
Molecular FormulaC63H40FN5O
Molecular Weight902.05 g/mol
Exact Mass901.32
IUPAC Name2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c32)n1
InChIInChI=1S/C63H40FN5O/c64-53-29-15-28-52(57(53)58-47(27-16-32-56(58)70)43-21-8-3-9-22-43)62-65-61(44-35-33-42(34-36-44)40-17-4-1-5-18-40)66-63(67-62)69-55-31-13-11-26-49(55)51-38-37-50-48-25-10-12-30-54(48)68(59(50)60(51)69)46-24-14-23-45(39-46)41-19-6-2-7-20-41/h1-39,70H
InChIKeyFHCKQKHEBAVMON-UHFFFAOYSA-N
XLogP15.91
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.05
LogP ≤ 515.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The IUPAC name of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol (CID 167048570) is 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol.
What is the SMILES notation for 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The canonical SMILES for 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol is Oc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c32)n1.
What is the InChIKey of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The InChIKey is FHCKQKHEBAVMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40FN5O/c64-53-29-15-28-52(57(53)58-47(27-16-32-56(58)70)43-21-8-3-9-22-43)62-65-61(44-35-33-42(34-36-44)40-17-4-1-5-18-40)66-63(67-62)69-55-31-13-11-26-49(55)51-38-37-50-48-25-10-12-30-54(48)68(59(50)60(51)69)46-24-14-23-45(39-46)41-19-6-2-7-20-41/h1-39,70H.
What are the key properties of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol has a molecular weight of 902.05 g/mol, XLogP of 15.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[11-(3-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol is sourced from PubChem (CID 167048570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).