N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine

C55H37NO — CID 139498916

IUPACN-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4oc5ccccc5c34)cccc21
InChIInChI=1S/C55H37NO/c1-55(2)46-22-10-8-18-44(46)52-47(55)23-13-24-48(52)56(36-28-26-35(27-29-36)34-14-4-3-5-15-34)49-33-32-43(54-53(49)45-19-9-11-25-50(45)57-54)39-30-31-42-38-17-7-6-16-37(38)40-20-12-21-41(39)51(40)42/h3-33H,1-2H3
InChIKeyIGWMRAGCNPOQGR-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.50
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 139498916) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID139498916
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4oc5ccccc5c34)cccc21
InChIInChI=1S/C55H37NO/c1-55(2)46-22-10-8-18-44(46)52-47(55)23-13-24-48(52)56(36-28-26-35(27-29-36)34-14-4-3-5-15-34)49-33-32-43(54-53(49)45-19-9-11-25-50(45)57-54)39-30-31-42-38-17-7-6-16-37(38)40-20-12-21-41(39)51(40)42/h3-33H,1-2H3
InChIKeyIGWMRAGCNPOQGR-UHFFFAOYSA-N
XLogP15.50
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285752
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285759
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 139498916) is N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4oc5ccccc5c34)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is IGWMRAGCNPOQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-55(2)46-22-10-8-18-44(46)52-47(55)23-13-24-48(52)56(36-28-26-35(27-29-36)34-14-4-3-5-15-34)49-33-32-43(54-53(49)45-19-9-11-25-50(45)57-54)39-30-31-42-38-17-7-6-16-37(38)40-20-12-21-41(39)51(40)42/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 727.91 g/mol, XLogP of 15.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 139498916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).