N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine

C64H49NO — CID 90277902

IUPACN,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
SMILESCc1ccccc1-c1cc2c(c3ccccc13)-c1ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5C)c5ccccc5c3-4)c3cccc4c3oc3ccccc34)cc1C2(C)C
InChIInChI=1S/C64H49NO/c1-38-18-7-9-20-42(38)52-36-56-60(47-25-13-11-22-44(47)52)50-32-30-40(34-54(50)63(56,3)4)65(58-28-17-27-49-46-24-15-16-29-59(46)66-62(49)58)41-31-33-51-55(35-41)64(5,6)57-37-53(43-21-10-8-19-39(43)2)45-23-12-14-26-48(45)61(51)57/h7-37H,1-6H3
InChIKeyXDYNHJLIMPZOAB-UHFFFAOYSA-N
MW848.10 g/mol
LogP17.93
Rot. Bonds5

About N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine

N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine (PubChem CID 90277902) has the molecular formula C64H49NO and a molecular weight of 848.10 g/mol. Its IUPAC name is N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
PubChem CID90277902
Molecular FormulaC64H49NO
Molecular Weight848.10 g/mol
Exact Mass847.38
IUPAC NameN,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
SMILESCc1ccccc1-c1cc2c(c3ccccc13)-c1ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5C)c5ccccc5c3-4)c3cccc4c3oc3ccccc34)cc1C2(C)C
InChIInChI=1S/C64H49NO/c1-38-18-7-9-20-42(38)52-36-56-60(47-25-13-11-22-44(47)52)50-32-30-40(34-54(50)63(56,3)4)65(58-28-17-27-49-46-24-15-16-29-59(46)66-62(49)58)41-31-33-51-55(35-41)64(5,6)57-37-53(43-21-10-8-19-39(43)2)45-23-12-14-26-48(45)61(51)57/h7-37H,1-6H3
InChIKeyXDYNHJLIMPZOAB-UHFFFAOYSA-N
XLogP17.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.10
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
5-N-dibenzofuran-4-yl-8,8,20-trimethyl-5-N,16-N,16-N-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633640
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-(4-tert-butylphenyl)-N-[14,14-dimethyl-11-(2-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-11-(2-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 138569790
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
CID 140758762
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N,16-N-bis(4-trimethylsilylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 158401253
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633607
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361

Frequently Asked Questions

What is the IUPAC name of N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine?
The IUPAC name of N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine (CID 90277902) is N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine?
The canonical SMILES for N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine is Cc1ccccc1-c1cc2c(c3ccccc13)-c1ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5C)c5ccccc5c3-4)c3cccc4c3oc3ccccc34)cc1C2(C)C.
What is the InChIKey of N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine?
The InChIKey is XDYNHJLIMPZOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49NO/c1-38-18-7-9-20-42(38)52-36-56-60(47-25-13-11-22-44(47)52)50-32-30-40(34-54(50)63(56,3)4)65(58-28-17-27-49-46-24-15-16-29-59(46)66-62(49)58)41-31-33-51-55(35-41)64(5,6)57-37-53(43-21-10-8-19-39(43)2)45-23-12-14-26-48(45)61(51)57/h7-37H,1-6H3.
What are the key properties of N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine?
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine has a molecular weight of 848.10 g/mol, XLogP of 17.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine is sourced from PubChem (CID 90277902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).