N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

C76H50N2O — CID 118410898

IUPACN-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C76H50N2O/c1-75(2)63-28-9-3-18-54(63)57-45-44-51(46-68(57)75)77(71-35-17-32-67-72(71)62-23-6-12-31-66(62)76(67)64-29-10-4-19-55(64)56-20-5-11-30-65(56)76)49-40-36-47(37-41-49)52-24-15-26-60-61-27-16-25-53(74(61)79-73(52)60)48-38-42-50(43-39-48)78-69-33-13-7-21-58(69)59-22-8-14-34-70(59)78/h3-46H,1-2H3
InChIKeyDJAFXUHRFDOXII-UHFFFAOYSA-N
MW1007.25 g/mol
LogP20.14
Rot. Bonds6

About N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 118410898) has the molecular formula C76H50N2O and a molecular weight of 1007.25 g/mol. Its IUPAC name is N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID118410898
Molecular FormulaC76H50N2O
Molecular Weight1007.25 g/mol
Exact Mass1006.39
IUPAC NameN-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C76H50N2O/c1-75(2)63-28-9-3-18-54(63)57-45-44-51(46-68(57)75)77(71-35-17-32-67-72(71)62-23-6-12-31-66(62)76(67)64-29-10-4-19-55(64)56-20-5-11-30-65(56)76)49-40-36-47(37-41-49)52-24-15-26-60-61-27-16-25-53(74(61)79-73(52)60)48-38-42-50(43-39-48)78-69-33-13-7-21-58(69)59-22-8-14-34-70(59)78/h3-46H,1-2H3
InChIKeyDJAFXUHRFDOXII-UHFFFAOYSA-N
XLogP20.14
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.25
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160755844
7-carbazol-9-yl-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 135193230
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266479
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)carbazol-3-amine
CID 161326780
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
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-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 165075228

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (CID 118410898) is N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is DJAFXUHRFDOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2O/c1-75(2)63-28-9-3-18-54(63)57-45-44-51(46-68(57)75)77(71-35-17-32-67-72(71)62-23-6-12-31-66(62)76(67)64-29-10-4-19-55(64)56-20-5-11-30-65(56)76)49-40-36-47(37-41-49)52-24-15-26-60-61-27-16-25-53(74(61)79-73(52)60)48-38-42-50(43-39-48)78-69-33-13-7-21-58(69)59-22-8-14-34-70(59)78/h3-46H,1-2H3.
What are the key properties of N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1007.25 g/mol, XLogP of 20.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 118410898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).