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

C57H36FN5O — CID 164758313

IUPAC2-[2-fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1
InChIInChI=1S/C57H36FN5O/c58-47-26-14-25-46(51(47)52-41(24-15-29-50(52)64)38-18-6-2-7-19-38)56-59-55(39-20-8-3-9-21-39)60-57(61-56)63-49-28-13-11-23-43(49)45-35-34-44-42-22-10-12-27-48(42)62(53(44)54(45)63)40-32-30-37(31-33-40)36-16-4-1-5-17-36/h1-35,64H
InChIKeyCYARDTAFWWHJNP-UHFFFAOYSA-N
MW825.95 g/mol
LogP14.25
Rot. Bonds7

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

2-[2-fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol (PubChem CID 164758313) has the molecular formula C57H36FN5O and a molecular weight of 825.95 g/mol. Its IUPAC name is 2-[2-fluoro-6-[4-phenyl-6-[11-(4-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-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
PubChem CID164758313
Molecular FormulaC57H36FN5O
Molecular Weight825.95 g/mol
Exact Mass825.29
IUPAC Name2-[2-fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1
InChIInChI=1S/C57H36FN5O/c58-47-26-14-25-46(51(47)52-41(24-15-29-50(52)64)38-18-6-2-7-19-38)56-59-55(39-20-8-3-9-21-39)60-57(61-56)63-49-28-13-11-23-43(49)45-35-34-44-42-22-10-12-27-48(42)62(53(44)54(45)63)40-32-30-37(31-33-40)36-16-4-1-5-17-36/h1-35,64H
InChIKeyCYARDTAFWWHJNP-UHFFFAOYSA-N
XLogP14.25
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.95
LogP ≤ 514.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[4-phenyl-6-[11-(4-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-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol (CID 164758313) is 2-[2-fluoro-6-[4-phenyl-6-[11-(4-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-phenyl-6-[11-(4-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-phenyl-6-[11-(4-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(-c2ccccc2)nc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c32)n1.
What is the InChIKey of 2-[2-fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The InChIKey is CYARDTAFWWHJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36FN5O/c58-47-26-14-25-46(51(47)52-41(24-15-29-50(52)64)38-18-6-2-7-19-38)56-59-55(39-20-8-3-9-21-39)60-57(61-56)63-49-28-13-11-23-43(49)45-35-34-44-42-22-10-12-27-48(42)62(53(44)54(45)63)40-32-30-37(31-33-40)36-16-4-1-5-17-36/h1-35,64H.
What are the key properties of 2-[2-fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
2-[2-fluoro-6-[4-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol has a molecular weight of 825.95 g/mol, XLogP of 14.25, 7 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-phenyl-6-[11-(4-phenylphenyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol is sourced from PubChem (CID 164758313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).