4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline

C58H37FN2O — CID 121357391

IUPAC4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-43-26-32-47(33-27-43)61-54-14-6-4-11-49(54)53-37-42(25-36-55(53)61)40-19-17-38(18-20-40)39-21-28-45(29-22-39)60(44-9-2-1-3-10-44)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/h1-37H
InChIKeyOAMJEGFBXDNEGI-UHFFFAOYSA-N
MW796.95 g/mol
LogP16.32
Rot. Bonds7

About 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline

4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline (PubChem CID 121357391) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline.

Molecular Properties

Compound Name4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline
PubChem CID121357391
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC Name4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-43-26-32-47(33-27-43)61-54-14-6-4-11-49(54)53-37-42(25-36-55(53)61)40-19-17-38(18-20-40)39-21-28-45(29-22-39)60(44-9-2-1-3-10-44)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/h1-37H
InChIKeyOAMJEGFBXDNEGI-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 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline?
The IUPAC name of 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline (CID 121357391) is 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline.
What is the SMILES notation for 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline?
The canonical SMILES for 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline?
The InChIKey is OAMJEGFBXDNEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2O/c59-43-26-32-47(33-27-43)61-54-14-6-4-11-49(54)53-37-42(25-36-55(53)61)40-19-17-38(18-20-40)39-21-28-45(29-22-39)60(44-9-2-1-3-10-44)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/h1-37H.
What are the key properties of 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline?
4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline 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 4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-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]-N-phenylaniline is sourced from PubChem (CID 121357391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).