N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine

C52H39NO — CID 164929447

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C52H39NO/c1-51(2)43-21-10-7-16-38(43)39-29-28-35(31-45(39)51)53(34-26-24-32(25-27-34)37-19-13-20-41-40-17-9-12-23-47(40)54-50(37)41)46-30-33-14-5-6-15-36(33)49-48(46)42-18-8-11-22-44(42)52(49,3)4/h5-31H,1-4H3
InChIKeyUEGRRVAERDJTKP-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.49
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine (PubChem CID 164929447) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
PubChem CID164929447
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C52H39NO/c1-51(2)43-21-10-7-16-38(43)39-29-28-35(31-45(39)51)53(34-26-24-32(25-27-34)37-19-13-20-41-40-17-9-12-23-47(40)54-50(37)41)46-30-33-14-5-6-15-36(33)49-48(46)42-18-8-11-22-44(42)52(49,3)4/h5-31H,1-4H3
InChIKeyUEGRRVAERDJTKP-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
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)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-phenyldibenzofuran-4-amine
CID 164929416
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 67964256

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine (CID 164929447) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine?
The InChIKey is UEGRRVAERDJTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-51(2)43-21-10-7-16-38(43)39-29-28-35(31-45(39)51)53(34-26-24-32(25-27-34)37-19-13-20-41-40-17-9-12-23-47(40)54-50(37)41)46-30-33-14-5-6-15-36(33)49-48(46)42-18-8-11-22-44(42)52(49,3)4/h5-31H,1-4H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine has a molecular weight of 693.89 g/mol, XLogP of 14.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine is sourced from PubChem (CID 164929447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).