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

C52H33FN2O — CID 121357431

IUPACN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C52H33FN2O/c53-39-21-27-42(28-22-39)55-48-14-5-4-12-44(48)47-32-38(20-31-49(47)55)36-18-25-41(26-19-36)54(40-23-16-35(17-24-40)34-8-2-1-3-9-34)43-29-30-45-46-13-6-10-37-11-7-15-50(52(37)46)56-51(45)33-43/h1-33H
InChIKeyABJURCYWQCIGPF-UHFFFAOYSA-N
MW720.85 g/mol
LogP14.65
Rot. Bonds6

About N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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 121357431) has the molecular formula C52H33FN2O and a molecular weight of 720.85 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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 CID121357431
Molecular FormulaC52H33FN2O
Molecular Weight720.85 g/mol
Exact Mass720.26
IUPAC NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1
InChIInChI=1S/C52H33FN2O/c53-39-21-27-42(28-22-39)55-48-14-5-4-12-44(48)47-32-38(20-31-49(47)55)36-18-25-41(26-19-36)54(40-23-16-35(17-24-40)34-8-2-1-3-9-34)43-29-30-45-46-13-6-10-37-11-7-15-50(52(37)46)56-51(45)33-43/h1-33H
InChIKeyABJURCYWQCIGPF-UHFFFAOYSA-N
XLogP14.65
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.85
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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 121357431) is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5cccc7cccc-6c57)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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 ABJURCYWQCIGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN2O/c53-39-21-27-42(28-22-39)55-48-14-5-4-12-44(48)47-32-38(20-31-49(47)55)36-18-25-41(26-19-36)54(40-23-16-35(17-24-40)34-8-2-1-3-9-34)43-29-30-45-46-13-6-10-37-11-7-15-50(52(37)46)56-51(45)33-43/h1-33H.
What are the key properties of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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 720.85 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-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 121357431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).