N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline

C56H43NO — CID 144960334

IUPACN-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
SMILESCC1(c2ccccc2)C=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc(C3(c4cccc5c4oc4ccccc45)C4=C(CCC=C4)c4ccccc43)cc2)=CC1
InChIInChI=1S/C56H43NO/c1-55(41-17-6-3-7-18-41)37-35-45(36-38-55)57(43-31-27-40(28-32-43)39-15-4-2-5-16-39)44-33-29-42(30-34-44)56(50-23-11-8-19-46(50)47-20-9-12-24-51(47)56)52-25-14-22-49-48-21-10-13-26-53(48)58-54(49)52/h2-8,10-19,21-37H,9,20,38H2,1H3
InChIKeyKFEWSTUSJIWHFS-UHFFFAOYSA-N
MW745.97 g/mol
LogP14.64
Rot. Bonds7

About N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline

N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline (PubChem CID 144960334) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
PubChem CID144960334
Molecular FormulaC56H43NO
Molecular Weight745.97 g/mol
Exact Mass745.33
IUPAC NameN-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
SMILESCC1(c2ccccc2)C=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc(C3(c4cccc5c4oc4ccccc45)C4=C(CCC=C4)c4ccccc43)cc2)=CC1
InChIInChI=1S/C56H43NO/c1-55(41-17-6-3-7-18-41)37-35-45(36-38-55)57(43-31-27-40(28-32-43)39-15-4-2-5-16-39)44-33-29-42(30-34-44)56(50-23-11-8-19-46(50)47-20-9-12-24-51(47)56)52-25-14-22-49-48-21-10-13-26-53(48)58-54(49)52/h2-8,10-19,21-37H,9,20,38H2,1H3
InChIKeyKFEWSTUSJIWHFS-UHFFFAOYSA-N
XLogP14.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline
CID 167231705
3-(4-dibenzofuran-4-ylphenyl)-6,6,12,12-tetramethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-phenylindeno[2,1-h]fluoren-1-amine
CID 142540819
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-(4-dibenzofuran-4-yl-4-methylcyclohexa-1,5-dien-1-yl)-10-phenyl-N-(4-phenylphenyl)-6,6,12,12-tetra(propan-2-yl)indeno[1,2-b]fluoren-2-amine;ethane
CID 142541181
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline
CID 171799116
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
5-[4-(N-dibenzofuran-4-ylanilino)-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121275433

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
The IUPAC name of N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline (CID 144960334) is N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline.
What is the SMILES notation for N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
The canonical SMILES for N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline is CC1(c2ccccc2)C=CC(N(c2ccc(-c3ccccc3)cc2)c2ccc(C3(c4cccc5c4oc4ccccc45)C4=C(CCC=C4)c4ccccc43)cc2)=CC1.
What is the InChIKey of N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
The InChIKey is KFEWSTUSJIWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-55(41-17-6-3-7-18-41)37-35-45(36-38-55)57(43-31-27-40(28-32-43)39-15-4-2-5-16-39)44-33-29-42(30-34-44)56(50-23-11-8-19-46(50)47-20-9-12-24-51(47)56)52-25-14-22-49-48-21-10-13-26-53(48)58-54(49)52/h2-8,10-19,21-37H,9,20,38H2,1H3.
What are the key properties of N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline?
N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline has a molecular weight of 745.97 g/mol, XLogP of 14.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-dibenzofuran-4-yl-3,4-dihydrofluoren-9-yl)phenyl]-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline is sourced from PubChem (CID 144960334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).