6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile

C66H38F4N4O2 — CID 153110788

IUPAC6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile
SMILESCC1(C)c2ccccc2C2(c3cc(N(c4cc(F)cc(F)c4)c4cccc5c4oc4c(C#N)cccc45)ccc3-c3ccc(N(c4cc(F)cc(F)c4)c4cccc5c4oc4c(C#N)cccc45)cc32)c2ccccc21
InChIInChI=1S/C66H38F4N4O2/c1-65(2)53-17-3-5-19-55(53)66(56-20-6-4-18-54(56)65)57-33-43(73(45-29-39(67)27-40(68)30-45)59-21-9-15-51-49-13-7-11-37(35-71)61(49)75-63(51)59)23-25-47(57)48-26-24-44(34-58(48)66)74(46-31-41(69)28-42(70)32-46)60-22-10-16-52-50-14-8-12-38(36-72)62(50)76-64(52)60/h3-34H,1-2H3
InChIKeyVSWPQWZPLMIUSG-UHFFFAOYSA-N
MW995.05 g/mol
LogP17.73
Rot. Bonds6

About 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile

6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile (PubChem CID 153110788) has the molecular formula C66H38F4N4O2 and a molecular weight of 995.05 g/mol. Its IUPAC name is 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile
PubChem CID153110788
Molecular FormulaC66H38F4N4O2
Molecular Weight995.05 g/mol
Exact Mass994.29
IUPAC Name6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile
SMILESCC1(C)c2ccccc2C2(c3cc(N(c4cc(F)cc(F)c4)c4cccc5c4oc4c(C#N)cccc45)ccc3-c3ccc(N(c4cc(F)cc(F)c4)c4cccc5c4oc4c(C#N)cccc45)cc32)c2ccccc21
InChIInChI=1S/C66H38F4N4O2/c1-65(2)53-17-3-5-19-55(53)66(56-20-6-4-18-54(56)65)57-33-43(73(45-29-39(67)27-40(68)30-45)59-21-9-15-51-49-13-7-11-37(35-71)61(49)75-63(51)59)23-25-47(57)48-26-24-44(34-58(48)66)74(46-31-41(69)28-42(70)32-46)60-22-10-16-52-50-14-8-12-38(36-72)62(50)76-64(52)60/h3-34H,1-2H3
InChIKeyVSWPQWZPLMIUSG-UHFFFAOYSA-N
XLogP17.73
TPSA80.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.05
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile with MolForge

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Related Compounds

2-[[6'-(2-cyano-N-(6-methyldibenzofuran-4-yl)anilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile
CID 163583021
9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine
CID 163743757
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-bis(3,5-difluorophenyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2',7'-diamine
CID 163701343
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050362
6-(N-[10-(N-(6-cyanodibenzofuran-4-yl)anilino)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5-yl]anilino)dibenzofuran-4-carbonitrile
CID 138651572
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730540
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-dibenzofuran-4-yl-4-(9-methylfluoren-9-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 169022095
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015

Frequently Asked Questions

What is the IUPAC name of 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile?
The IUPAC name of 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile (CID 153110788) is 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile.
What is the SMILES notation for 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile?
The canonical SMILES for 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile is CC1(C)c2ccccc2C2(c3cc(N(c4cc(F)cc(F)c4)c4cccc5c4oc4c(C#N)cccc45)ccc3-c3ccc(N(c4cc(F)cc(F)c4)c4cccc5c4oc4c(C#N)cccc45)cc32)c2ccccc21.
What is the InChIKey of 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile?
The InChIKey is VSWPQWZPLMIUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38F4N4O2/c1-65(2)53-17-3-5-19-55(53)66(56-20-6-4-18-54(56)65)57-33-43(73(45-29-39(67)27-40(68)30-45)59-21-9-15-51-49-13-7-11-37(35-71)61(49)75-63(51)59)23-25-47(57)48-26-24-44(34-58(48)66)74(46-31-41(69)28-42(70)32-46)60-22-10-16-52-50-14-8-12-38(36-72)62(50)76-64(52)60/h3-34H,1-2H3.
What are the key properties of 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile?
6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile has a molecular weight of 995.05 g/mol, XLogP of 17.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-[7'-(N-(6-cyanodibenzofuran-4-yl)-3,5-difluoroanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3,5-difluoroanilino)dibenzofuran-4-carbonitrile is sourced from PubChem (CID 153110788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).