N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine

C59H56FNO — CID 166816599

IUPACN-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine
SMILESC=Cc1ccc(C2(C3=CC=C(F)CC3)C3=C(C(c4ccccc4CCC)=C(C)CC3)c3c2cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)c2c3OC3C=CC=CC23)cc1
InChIInChI=1S/C59H56FNO/c1-7-16-40-17-12-13-20-47(40)53-38(3)23-36-49-55(53)56-50(59(49,43-28-32-44(60)33-29-43)42-26-24-39(8-2)25-27-42)37-51(54-48-21-14-15-22-52(48)62-57(54)56)61(45-18-10-9-11-19-45)46-34-30-41(31-35-46)58(4,5)6/h8-15,17-22,24-28,30-32,34-35,37,48,52H,2,7,16,23,29,33,36H2,1,3-6H3
InChIKeyNGASJXSGYAQHET-UHFFFAOYSA-N
MW814.10 g/mol
LogP15.91
Rot. Bonds9

About N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine

N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine (PubChem CID 166816599) has the molecular formula C59H56FNO and a molecular weight of 814.10 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine
PubChem CID166816599
Molecular FormulaC59H56FNO
Molecular Weight814.10 g/mol
Exact Mass813.43
IUPAC NameN-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine
SMILESC=Cc1ccc(C2(C3=CC=C(F)CC3)C3=C(C(c4ccccc4CCC)=C(C)CC3)c3c2cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)c2c3OC3C=CC=CC23)cc1
InChIInChI=1S/C59H56FNO/c1-7-16-40-17-12-13-20-47(40)53-38(3)23-36-49-55(53)56-50(59(49,43-28-32-44(60)33-29-43)42-26-24-39(8-2)25-27-42)37-51(54-48-21-14-15-22-52(48)62-57(54)56)61(45-18-10-9-11-19-45)46-34-30-41(31-35-46)58(4,5)6/h8-15,17-22,24-28,30-32,34-35,37,48,52H,2,7,16,23,29,33,36H2,1,3-6H3
InChIKeyNGASJXSGYAQHET-UHFFFAOYSA-N
XLogP15.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.10
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine with MolForge

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Related Compounds

9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine
CID 168728844
5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 168728813
13-N,19-N,16-tris(4-tert-butylphenyl)-16-[4-[(4-tert-butylphenyl)methyl]phenyl]-13-N,19-N-diphenyl-4-oxaoctacyclo[15.13.0.02,15.03,12.06,11.020,30.021,23.024,29]triaconta-1(30),2,6,8,10,12,14,17,19,24,26,28-dodecaene-13,19-diamine
CID 166816550
4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,6-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(3,4-difluorophenyl)phenyl]aniline
CID 167019692
9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155088287
N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
CID 135277465
N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-(3-fluoro-4-methylphenyl)propyl]-N-(3-fluoro-4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 166686295
7-[(E)-2-[7-(N-(4-tert-butylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068171
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286
9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 166686240
2,7-ditert-butyl-9-(4-ethenylphenyl)-9-hexyl-N,N-bis(4-methylphenyl)fluoren-4-amine
CID 146208407
9-(4-tert-butylphenyl)-N-[4-[4-[[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-naphthalen-1-ylfluoren-2-amine
CID 146516645

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine?
The IUPAC name of N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine (CID 166816599) is N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine is C=Cc1ccc(C2(C3=CC=C(F)CC3)C3=C(C(c4ccccc4CCC)=C(C)CC3)c3c2cc(N(c2ccccc2)c2ccc(C(C)(C)C)cc2)c2c3OC3C=CC=CC23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine?
The InChIKey is NGASJXSGYAQHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56FNO/c1-7-16-40-17-12-13-20-47(40)53-38(3)23-36-49-55(53)56-50(59(49,43-28-32-44(60)33-29-43)42-26-24-39(8-2)25-27-42)37-51(54-48-21-14-15-22-52(48)62-57(54)56)61(45-18-10-9-11-19-45)46-34-30-41(31-35-46)58(4,5)6/h8-15,17-22,24-28,30-32,34-35,37,48,52H,2,7,16,23,29,33,36H2,1,3-6H3.
What are the key properties of N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine?
N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine has a molecular weight of 814.10 g/mol, XLogP of 15.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine is sourced from PubChem (CID 166816599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).