N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

C58H37FN2O — CID 121357372

IUPACN-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-45-24-28-47(29-25-45)61-54-19-8-7-17-50(54)53-36-42(23-32-55(53)61)40-21-26-46(27-22-40)60(48-30-31-51-52-18-9-15-41-16-10-20-56(58(41)52)62-57(51)37-48)49-34-43(38-11-3-1-4-12-38)33-44(35-49)39-13-5-2-6-14-39/h1-37H
InChIKeyUBIMEZLHLRHYRK-UHFFFAOYSA-N
MW796.95 g/mol
LogP16.32
Rot. Bonds7

About N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (PubChem CID 121357372) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
PubChem CID121357372
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC NameN-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-45-24-28-47(29-25-45)61-54-19-8-7-17-50(54)53-36-42(23-32-55(53)61)40-21-26-46(27-22-40)60(48-30-31-51-52-18-9-15-41-16-10-20-56(58(41)52)62-57(51)37-48)49-34-43(38-11-3-1-4-12-38)33-44(35-49)39-13-5-2-6-14-39/h1-37H
InChIKeyUBIMEZLHLRHYRK-UHFFFAOYSA-N
XLogP16.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine (CID 121357372) is N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
The InChIKey is UBIMEZLHLRHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2O/c59-45-24-28-47(29-25-45)61-54-19-8-7-17-50(54)53-36-42(23-32-55(53)61)40-21-26-46(27-22-40)60(48-30-31-51-52-18-9-15-41-16-10-20-56(58(41)52)62-57(51)37-48)49-34-43(38-11-3-1-4-12-38)33-44(35-49)39-13-5-2-6-14-39/h1-37H.
What are the key properties of N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine?
N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine has a molecular weight of 796.95 g/mol, XLogP of 16.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine is sourced from PubChem (CID 121357372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).