9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen

C65H49NO — CID 158018181

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c6c(ccc45)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc21.[H][H]
InChIInChI=1S/C64H43NO.CH4.H2/c1-63(2)54-23-10-6-17-47(54)50-36-35-45(39-59(50)63)65(43-31-27-41(28-32-43)40-15-4-3-5-16-40)44-33-29-42(30-34-44)46-21-14-22-51-52-37-38-58-60(62(52)66-61(46)51)53-20-9-13-26-57(53)64(58)55-24-11-7-18-48(55)49-19-8-12-25-56(49)64;;/h3-39H,1-2H3;1H4;1H
InChIKeyFFSSRTUTEMMLBQ-UHFFFAOYSA-N
MW860.11 g/mol
LogP17.92
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen

9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen (PubChem CID 158018181) has the molecular formula C65H49NO and a molecular weight of 860.11 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
PubChem CID158018181
Molecular FormulaC65H49NO
Molecular Weight860.11 g/mol
Exact Mass859.38
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
SMILESC.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c6c(ccc45)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc21.[H][H]
InChIInChI=1S/C64H43NO.CH4.H2/c1-63(2)54-23-10-6-17-47(54)50-36-35-45(39-59(50)63)65(43-31-27-41(28-32-43)40-15-4-3-5-16-40)44-33-29-42(30-34-44)46-21-14-22-51-52-37-38-58-60(62(52)66-61(46)51)53-20-9-13-26-57(53)64(58)55-24-11-7-18-48(55)49-19-8-12-25-56(49)64;;/h3-39H,1-2H3;1H4;1H
InChIKeyFFSSRTUTEMMLBQ-UHFFFAOYSA-N
XLogP17.92
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.11
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170690345
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-[4-(7,7-dimethyl-12H-indeno[1,2-c]fluoren-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159944285
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 130466783
9,9-dimethyl-N-[4-(19-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 171433694
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen (CID 158018181) is 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen is C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c6c(ccc45)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc21.[H][H].
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen?
The InChIKey is FFSSRTUTEMMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO.CH4.H2/c1-63(2)54-23-10-6-17-47(54)50-36-35-45(39-59(50)63)65(43-31-27-41(28-32-43)40-15-4-3-5-16-40)44-33-29-42(30-34-44)46-21-14-22-51-52-37-38-58-60(62(52)66-61(46)51)53-20-9-13-26-57(53)64(58)55-24-11-7-18-48(55)49-19-8-12-25-56(49)64;;/h3-39H,1-2H3;1H4;1H.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen?
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen has a molecular weight of 860.11 g/mol, XLogP of 17.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen is sourced from PubChem (CID 158018181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).