8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine

C69H47F3N4O3 — CID 23594499

IUPAC8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3oc4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9oc%10ccc(N(C)c%11ccc(F)cc%11)cc%10c9c8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C69H47F3N4O3/c1-42-4-14-48(15-5-42)74(49-16-6-43(2)7-17-49)53-25-31-66-60(37-53)61-39-55(27-33-67(61)78-66)76(51-22-12-46(72)13-23-51)57-29-35-69-63(41-57)62-40-56(28-34-68(62)79-69)75(50-20-10-45(71)11-21-50)54-26-32-65-59(38-54)58-36-52(24-30-64(58)77-65)73(3)47-18-8-44(70)9-19-47/h4-41H,1-3H3
InChIKeyCUPXHHFEQZNEPI-UHFFFAOYSA-N
MW1037.15 g/mol
LogP20.60
Rot. Bonds11

About 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine

8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine (PubChem CID 23594499) has the molecular formula C69H47F3N4O3 and a molecular weight of 1037.15 g/mol. Its IUPAC name is 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine
PubChem CID23594499
Molecular FormulaC69H47F3N4O3
Molecular Weight1037.15 g/mol
Exact Mass1036.36
IUPAC Name8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3oc4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9oc%10ccc(N(C)c%11ccc(F)cc%11)cc%10c9c8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C69H47F3N4O3/c1-42-4-14-48(15-5-42)74(49-16-6-43(2)7-17-49)53-25-31-66-60(37-53)61-39-55(27-33-67(61)78-66)76(51-22-12-46(72)13-23-51)57-29-35-69-63(41-57)62-40-56(28-34-68(62)79-69)75(50-20-10-45(71)11-21-50)54-26-32-65-59(38-54)58-36-52(24-30-64(58)77-65)73(3)47-18-8-44(70)9-19-47/h4-41H,1-3H3
InChIKeyCUPXHHFEQZNEPI-UHFFFAOYSA-N
XLogP20.60
TPSA52.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.15
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine with MolForge

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Related Compounds

US11053243, Example 26
CID 49779472
8-Dimethylaminodibenzo-furan
CID 259287
N-(N,N-Dimethyl-1,2,3,4-tetrahydro-2-aminodibenzofur-8-yl)-4-fluorobenzamide
CID 11131919
N-(N,N-Dimethyl-1,2,3,4-tetrahydro-2-aminodibenzofur-8-yl)-2,4-difluorobenzamide
CID 15428625
N-(N,N-Dimethyl-1,2,3,4-tetrahydro-2-aminodibenzofur-8-yl)-2-trifluoromethyl-4-fluorobenzamide
CID 15428626
2-(4-fluorophenyl)-N,N-dimethyl-1-benzofuran-5-amine
CID 16657284
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide
CID 19064506
N-[3-[2-[benzyl(methyl)amino]ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide
CID 19064670
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-2,4-difluorobenzamide
CID 19064725
N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
CID 21221636
N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
CID 21221732
8-N-[(2,4-difluorophenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
CID 22663947

Frequently Asked Questions

What is the IUPAC name of 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine?
The IUPAC name of 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine (CID 23594499) is 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3oc4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9oc%10ccc(N(C)c%11ccc(F)cc%11)cc%10c9c8)cc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine?
The InChIKey is CUPXHHFEQZNEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47F3N4O3/c1-42-4-14-48(15-5-42)74(49-16-6-43(2)7-17-49)53-25-31-66-60(37-53)61-39-55(27-33-67(61)78-66)76(51-22-12-46(72)13-23-51)57-29-35-69-63(41-57)62-40-56(28-34-68(62)79-69)75(50-20-10-45(71)11-21-50)54-26-32-65-59(38-54)58-36-52(24-30-64(58)77-65)73(3)47-18-8-44(70)9-19-47/h4-41H,1-3H3.
What are the key properties of 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine?
8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine has a molecular weight of 1037.15 g/mol, XLogP of 20.60, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[8-(4-fluoro-N-[8-(4-methyl-N-(4-methylphenyl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-2-N,8-N-bis(4-fluorophenyl)-2-N-methyldibenzofuran-2,8-diamine is sourced from PubChem (CID 23594499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).