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

C81H53F3N4O4 — CID 23594498

IUPAC8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3oc4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9oc%10ccc(N(c%11ccc(F)cc%11)c%11ccc%12oc%13ccc(C)cc%13c%12c%11)cc%10c9c8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C81H53F3N4O4/c1-48-4-15-54(16-5-48)85(55-17-6-49(2)7-18-55)59-25-33-76-68(41-59)69-43-62(28-35-77(69)90-76)87(57-21-11-52(83)12-22-57)63-29-37-80-72(45-63)73-47-65(31-39-81(73)92-80)88(58-23-13-53(84)14-24-58)64-30-38-79-71(46-64)70-44-61(27-36-78(70)91-79)86(56-19-9-51(82)10-20-56)60-26-34-75-67(42-60)66-40-50(3)8-32-74(66)89-75/h4-47H,1-3H3
InChIKeySVIKXATWISPGKS-UHFFFAOYSA-N
MW1203.33 g/mol
LogP24.51
Rot. Bonds12

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

8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine (PubChem CID 23594498) has the molecular formula C81H53F3N4O4 and a molecular weight of 1203.33 g/mol. Its IUPAC name is 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
PubChem CID23594498
Molecular FormulaC81H53F3N4O4
Molecular Weight1203.33 g/mol
Exact Mass1202.40
IUPAC Name8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3oc4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9oc%10ccc(N(c%11ccc(F)cc%11)c%11ccc%12oc%13ccc(C)cc%13c%12c%11)cc%10c9c8)cc7c6c5)cc4c3c2)cc1
InChIInChI=1S/C81H53F3N4O4/c1-48-4-15-54(16-5-48)85(55-17-6-49(2)7-18-55)59-25-33-76-68(41-59)69-43-62(28-35-77(69)90-76)87(57-21-11-52(83)12-22-57)63-29-37-80-72(45-63)73-47-65(31-39-81(73)92-80)88(58-23-13-53(84)14-24-58)64-30-38-79-71(46-64)70-44-61(27-36-78(70)91-79)86(56-19-9-51(82)10-20-56)60-26-34-75-67(42-60)66-40-50(3)8-32-74(66)89-75/h4-47H,1-3H3
InChIKeySVIKXATWISPGKS-UHFFFAOYSA-N
XLogP24.51
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.33
LogP ≤ 524.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine
CID 23593180
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593201
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593209
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593210
N,8-dimethyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-2-amine
CID 23593255
7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
CID 23593264
3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593337
3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593367
N-[4-[4-[N-(3,4-dimethylphenyl)-4-[4-[N-(3,4-dimethylphenyl)-4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-(3-fluorophenyl)-8-methyldibenzofuran-2-amine
CID 23594453
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
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
N-(3-fluorophenyl)-N,8-dimethyldibenzofuran-2-amine
CID 23597846

Frequently Asked Questions

What is the IUPAC name of 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
The IUPAC name of 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine (CID 23594498) is 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3oc4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9oc%10ccc(N(c%11ccc(F)cc%11)c%11ccc%12oc%13ccc(C)cc%13c%12c%11)cc%10c9c8)cc7c6c5)cc4c3c2)cc1.
What is the InChIKey of 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
The InChIKey is SVIKXATWISPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H53F3N4O4/c1-48-4-15-54(16-5-48)85(55-17-6-49(2)7-18-55)59-25-33-76-68(41-59)69-43-62(28-35-77(69)90-76)87(57-21-11-52(83)12-22-57)63-29-37-80-72(45-63)73-47-65(31-39-81(73)92-80)88(58-23-13-53(84)14-24-58)64-30-38-79-71(46-64)70-44-61(27-36-78(70)91-79)86(56-19-9-51(82)10-20-56)60-26-34-75-67(42-60)66-40-50(3)8-32-74(66)89-75/h4-47H,1-3H3.
What are the key properties of 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine?
8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine has a molecular weight of 1203.33 g/mol, XLogP of 24.51, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[8-(4-fluoro-N-[8-(4-fluoro-N-(8-methyldibenzofuran-2-yl)anilino)dibenzofuran-2-yl]anilino)dibenzofuran-2-yl]-8-N-(4-fluorophenyl)-2-N,2-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 23594498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).