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

C63H40FN5O — CID 167048571

IUPAC2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccccc5)cc4)c32)n1
InChIInChI=1S/C63H40FN5O/c64-52-26-14-25-51(57(52)59-47(24-15-29-56(59)70)44-20-8-3-9-21-44)62-65-61(45-32-30-42(31-33-45)40-16-4-1-5-17-40)66-63(67-62)69-53-27-12-10-22-48(53)49-38-39-55-58(60(49)69)50-23-11-13-28-54(50)68(55)46-36-34-43(35-37-46)41-18-6-2-7-19-41/h1-39,70H
InChIKeyKFYILIDFYYOMNS-UHFFFAOYSA-N
MW902.05 g/mol
LogP15.91
Rot. Bonds8

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

2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol (PubChem CID 167048571) 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-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol.

Molecular Properties

Compound Name2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
PubChem CID167048571
Molecular FormulaC63H40FN5O
Molecular Weight902.05 g/mol
Exact Mass901.32
IUPAC Name2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol
SMILESOc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccccc5)cc4)c32)n1
InChIInChI=1S/C63H40FN5O/c64-52-26-14-25-51(57(52)59-47(24-15-29-56(59)70)44-20-8-3-9-21-44)62-65-61(45-32-30-42(31-33-45)40-16-4-1-5-17-40)66-63(67-62)69-53-27-12-10-22-48(53)49-38-39-55-58(60(49)69)50-23-11-13-28-54(50)68(55)46-36-34-43(35-37-46)41-18-6-2-7-19-41/h1-39,70H
InChIKeyKFYILIDFYYOMNS-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-[5-(4-phenylphenyl)indolo[3,2-c]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-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The IUPAC name of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol (CID 167048571) is 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]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-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The canonical SMILES for 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol is Oc1cccc(-c2ccccc2)c1-c1c(F)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccccc5)cc4)c32)n1.
What is the InChIKey of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
The InChIKey is KFYILIDFYYOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40FN5O/c64-52-26-14-25-51(57(52)59-47(24-15-29-56(59)70)44-20-8-3-9-21-44)62-65-61(45-32-30-42(31-33-45)40-16-4-1-5-17-40)66-63(67-62)69-53-27-12-10-22-48(53)49-38-39-55-58(60(49)69)50-23-11-13-28-54(50)68(55)46-36-34-43(35-37-46)41-18-6-2-7-19-41/h1-39,70H.
What are the key properties of 2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol?
2-[2-fluoro-6-[4-(4-phenylphenyl)-6-[5-(4-phenylphenyl)indolo[3,2-c]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-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]-1,3,5-triazin-2-yl]phenyl]-3-phenylphenol is sourced from PubChem (CID 167048571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).