7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine

C61H60FNO2 — CID 121325422

IUPAC7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine
SMILESCCCCCCCCC(CCCCCCCC)c1ccc2c(c1)oc1c(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3cc(-c5cccc(F)c5)ccc34)cccc12
InChIInChI=1S/C61H60FNO2/c1-3-5-7-9-11-13-22-42(23-14-12-10-8-6-4-2)44-34-36-51-53-30-20-32-55(60(53)64-58(51)40-44)63(57-39-46-24-15-16-27-48(46)49-28-17-18-29-50(49)57)56-33-21-31-54-52-37-35-45(41-59(52)65-61(54)56)43-25-19-26-47(62)38-43/h15-21,24-42H,3-14,22-23H2,1-2H3
InChIKeyALFOAROZELTQFY-UHFFFAOYSA-N
MW858.15 g/mol
LogP19.65
Rot. Bonds19

About 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine

7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine (PubChem CID 121325422) has the molecular formula C61H60FNO2 and a molecular weight of 858.15 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine
PubChem CID121325422
Molecular FormulaC61H60FNO2
Molecular Weight858.15 g/mol
Exact Mass857.46
IUPAC Name7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine
SMILESCCCCCCCCC(CCCCCCCC)c1ccc2c(c1)oc1c(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3cc(-c5cccc(F)c5)ccc34)cccc12
InChIInChI=1S/C61H60FNO2/c1-3-5-7-9-11-13-22-42(23-14-12-10-8-6-4-2)44-34-36-51-53-30-20-32-55(60(53)64-58(51)40-44)63(57-39-46-24-15-16-27-48(46)49-28-17-18-29-50(49)57)56-33-21-31-54-52-37-35-45(41-59(52)65-61(54)56)43-25-19-26-47(62)38-43/h15-21,24-42H,3-14,22-23H2,1-2H3
InChIKeyALFOAROZELTQFY-UHFFFAOYSA-N
XLogP19.65
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.15
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-(chloromethyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;7-(4-fluorophenyl)-N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yldibenzofuran-3-amine;N-(8-pentadecan-7-yldibenzofuran-3-yl)-N-phenanthren-9-yl-8-phenyldibenzofuran-3-amine
CID 159749412
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
CID 155304515
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-naphthalen-1-yl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]phenanthren-9-amine;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 161255997
N-naphthalen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167277676
N-[4-(4-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]phenanthren-9-amine
CID 170133889
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168789511
N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine
CID 176781272
N-phenanthren-9-yl-N-(3-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine
CID 161154090
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine?
The IUPAC name of 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine (CID 121325422) is 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine.
What is the SMILES notation for 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine?
The canonical SMILES for 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine is CCCCCCCCC(CCCCCCCC)c1ccc2c(c1)oc1c(N(c3cc4ccccc4c4ccccc34)c3cccc4c3oc3cc(-c5cccc(F)c5)ccc34)cccc12.
What is the InChIKey of 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine?
The InChIKey is ALFOAROZELTQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60FNO2/c1-3-5-7-9-11-13-22-42(23-14-12-10-8-6-4-2)44-34-36-51-53-30-20-32-55(60(53)64-58(51)40-44)63(57-39-46-24-15-16-27-48(46)49-28-17-18-29-50(49)57)56-33-21-31-54-52-37-35-45(41-59(52)65-61(54)56)43-25-19-26-47(62)38-43/h15-21,24-42H,3-14,22-23H2,1-2H3.
What are the key properties of 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine?
7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine has a molecular weight of 858.15 g/mol, XLogP of 19.65, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-N-(7-heptadecan-9-yldibenzofuran-4-yl)-N-phenanthren-9-yldibenzofuran-4-amine is sourced from PubChem (CID 121325422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).