4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile

C52H36N2O — CID 67964745

IUPAC4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc21
InChIInChI=1S/C52H36N2O/c1-52(2)48-31-39(35-9-4-3-5-10-35)23-29-44(48)45-30-28-42(32-49(45)52)54(40-24-15-34(33-53)16-25-40)41-26-21-37(22-27-41)36-17-19-38(20-18-36)43-12-8-13-47-46-11-6-7-14-50(46)55-51(43)47/h3-32H,1-2H3
InChIKeyJMGKTZMPMWBQEQ-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.23
Rot. Bonds6

About 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile

4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile (PubChem CID 67964745) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile
PubChem CID67964745
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc21
InChIInChI=1S/C52H36N2O/c1-52(2)48-31-39(35-9-4-3-5-10-35)23-29-44(48)45-30-28-42(32-49(45)52)54(40-24-15-34(33-53)16-25-40)41-26-21-37(22-27-41)36-17-19-38(20-18-36)43-12-8-13-47-46-11-6-7-14-50(46)55-51(43)47/h3-32H,1-2H3
InChIKeyJMGKTZMPMWBQEQ-UHFFFAOYSA-N
XLogP14.23
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161143878
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 158906681
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534205
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-[4-[4-[7-[N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)anilino]-9,9-dimethylfluoren-2-yl]dibenzofuran-1-yl]phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 163811111
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile?
The IUPAC name of 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile (CID 67964745) is 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile.
What is the SMILES notation for 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile?
The canonical SMILES for 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(C#N)cc3)c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc21.
What is the InChIKey of 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile?
The InChIKey is JMGKTZMPMWBQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-52(2)48-31-39(35-9-4-3-5-10-35)23-29-44(48)45-30-28-42(32-49(45)52)54(40-24-15-34(33-53)16-25-40)41-26-21-37(22-27-41)36-17-19-38(20-18-36)43-12-8-13-47-46-11-6-7-14-50(46)55-51(43)47/h3-32H,1-2H3.
What are the key properties of 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile?
4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile has a molecular weight of 704.87 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anilino]benzonitrile is sourced from PubChem (CID 67964745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).