2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine

C93H67F4N5O — CID 23594459

IUPAC2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2cccc(F)c2)c2ccc3oc4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc(N(c9ccc(-c%10ccc(N(c%11cccc(C)c%11)c%11cccc(C)c%11)cc%10)cc9)c9cccc(F)c9)cc8)cc7)c7cccc(F)c7)cc6)cc5)c5cccc(F)c5)cc4c3c2)cc1
InChIInChI=1S/C93H67F4N5O/c1-62-22-36-75(37-23-62)101(86-20-8-14-73(96)58-86)88-50-52-92-90(60-88)91-61-89(51-53-93(91)103-92)102(87-21-9-15-74(97)59-87)81-48-34-70(35-49-81)68-30-44-79(45-31-68)99(85-19-7-13-72(95)57-85)77-40-26-66(27-41-77)65-24-38-76(39-25-65)98(84-18-6-12-71(94)56-84)78-42-28-67(29-43-78)69-32-46-80(47-33-69)100(82-16-4-10-63(2)54-82)83-17-5-11-64(3)55-83/h4-61H,1-3H3
InChIKeyNXSVSPVLIZUSFX-UHFFFAOYSA-N
MW1346.58 g/mol
LogP27.42
Rot. Bonds18

About 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine

2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine (PubChem CID 23594459) has the molecular formula C93H67F4N5O and a molecular weight of 1346.58 g/mol. Its IUPAC name is 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine
PubChem CID23594459
Molecular FormulaC93H67F4N5O
Molecular Weight1346.58 g/mol
Exact Mass1345.53
IUPAC Name2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2cccc(F)c2)c2ccc3oc4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc(N(c9ccc(-c%10ccc(N(c%11cccc(C)c%11)c%11cccc(C)c%11)cc%10)cc9)c9cccc(F)c9)cc8)cc7)c7cccc(F)c7)cc6)cc5)c5cccc(F)c5)cc4c3c2)cc1
InChIInChI=1S/C93H67F4N5O/c1-62-22-36-75(37-23-62)101(86-20-8-14-73(96)58-86)88-50-52-92-90(60-88)91-61-89(51-53-93(91)103-92)102(87-21-9-15-74(97)59-87)81-48-34-70(35-49-81)68-30-44-79(45-31-68)99(85-19-7-13-72(95)57-85)77-40-26-66(27-41-77)65-24-38-76(39-25-65)98(84-18-6-12-71(94)56-84)78-42-28-67(29-43-78)69-32-46-80(47-33-69)100(82-16-4-10-63(2)54-82)83-17-5-11-64(3)55-83/h4-61H,1-3H3
InChIKeyNXSVSPVLIZUSFX-UHFFFAOYSA-N
XLogP27.42
TPSA29.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001346.58
LogP ≤ 527.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine with MolForge

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Related Compounds

3-(dibenzo[b,d]furan-2-ylamino)-2-(4-methoxyphenyl)-1H-inden-1-one
CID 2268521
8-Dimethylaminodibenzo-furan
CID 259287
N-(2,3-diphenyl-1-benzofuran-5-yl)acetamide
CID 134947529
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 91572290
N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-3-(trifluoromethyl)benzamide
CID 1508857
N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-4-(trifluoromethyl)benzamide
CID 5305518
N-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran-2-amine
CID 9902554
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

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine (CID 23594459) is 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine is Cc1ccc(N(c2cccc(F)c2)c2ccc3oc4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccc(N(c9ccc(-c%10ccc(N(c%11cccc(C)c%11)c%11cccc(C)c%11)cc%10)cc9)c9cccc(F)c9)cc8)cc7)c7cccc(F)c7)cc6)cc5)c5cccc(F)c5)cc4c3c2)cc1.
What is the InChIKey of 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine?
The InChIKey is NXSVSPVLIZUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H67F4N5O/c1-62-22-36-75(37-23-62)101(86-20-8-14-73(96)58-86)88-50-52-92-90(60-88)91-61-89(51-53-93(91)103-92)102(87-21-9-15-74(97)59-87)81-48-34-70(35-49-81)68-30-44-79(45-31-68)99(85-19-7-13-72(95)57-85)77-40-26-66(27-41-77)65-24-38-76(39-25-65)98(84-18-6-12-71(94)56-84)78-42-28-67(29-43-78)69-32-46-80(47-33-69)100(82-16-4-10-63(2)54-82)83-17-5-11-64(3)55-83/h4-61H,1-3H3.
What are the key properties of 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine?
2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine has a molecular weight of 1346.58 g/mol, XLogP of 27.42, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(3-fluorophenyl)-8-N-[4-[4-[N-(3-fluorophenyl)-4-[4-[N-(3-fluorophenyl)-4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2-N-(4-methylphenyl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 23594459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).