N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C58H37FN2O — CID 121357395

IUPACN-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESFc1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc(-c3ccc4c5c(cccc35)Oc3ccccc3-4)cc2)cc1
InChIInChI=1S/C58H37FN2O/c59-43-26-32-47(33-27-43)60(46-30-23-41(24-31-46)48-34-35-52-50-12-5-7-15-56(50)62-57-16-8-13-51(48)58(52)57)45-28-21-39(22-29-45)38-17-19-40(20-18-38)42-25-36-55-53(37-42)49-11-4-6-14-54(49)61(55)44-9-2-1-3-10-44/h1-37H
InChIKeyTWNWQBUKEJZHKB-UHFFFAOYSA-N
MW796.95 g/mol
LogP16.32
Rot. Bonds7

About N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 121357395) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID121357395
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC NameN-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESFc1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc(-c3ccc4c5c(cccc35)Oc3ccccc3-4)cc2)cc1
InChIInChI=1S/C58H37FN2O/c59-43-26-32-47(33-27-43)60(46-30-23-41(24-31-46)48-34-35-52-50-12-5-7-15-56(50)62-57-16-8-13-51(48)58(52)57)45-28-21-39(22-29-45)38-17-19-40(20-18-38)42-25-36-55-53(37-42)49-11-4-6-14-54(49)61(55)44-9-2-1-3-10-44/h1-37H
InChIKeyTWNWQBUKEJZHKB-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-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 121357395) is N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Fc1ccc(N(c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c2ccc(-c3ccc4c5c(cccc35)Oc3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is TWNWQBUKEJZHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2O/c59-43-26-32-47(33-27-43)60(46-30-23-41(24-31-46)48-34-35-52-50-12-5-7-15-56(50)62-57-16-8-13-51(48)58(52)57)45-28-21-39(22-29-45)38-17-19-40(20-18-38)42-25-36-55-53(37-42)49-11-4-6-14-54(49)61(55)44-9-2-1-3-10-44/h1-37H.
What are the key properties of N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline 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-(4-fluorophenyl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 121357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).