4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C55H39N — CID 134320795

IUPAC4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5Cc5ccccc5-6)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C55H39N/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-33-48(34-30-44)56(47-31-27-43(28-32-47)40-15-6-2-7-16-40)49-35-36-53(54(38-49)45-17-8-3-9-18-45)52-22-12-21-51-50-20-11-10-19-46(50)37-55(51)52/h1-36,38H,37H2
InChIKeyGDVSHKLWVBBZTJ-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.06
Rot. Bonds8

About 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 134320795) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID134320795
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC Name4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5Cc5ccccc5-6)c(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C55H39N/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-33-48(34-30-44)56(47-31-27-43(28-32-47)40-15-6-2-7-16-40)49-35-36-53(54(38-49)45-17-8-3-9-18-45)52-22-12-21-51-50-20-11-10-19-46(50)37-55(51)52/h1-36,38H,37H2
InChIKeyGDVSHKLWVBBZTJ-UHFFFAOYSA-N
XLogP15.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
CID 142377962
N-(4-dibenzofuran-4-ylphenyl)-3-(9H-fluoren-1-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146516973
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N-[4-[4-[N-(12H-fluoreno[2,1-b][1]benzothiol-2-yl)anilino]phenyl]phenyl]-N-phenyl-12H-fluoreno[2,1-b][1]benzothiol-2-amine
CID 154624006
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 134320795) is 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5Cc5ccccc5-6)c(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is GDVSHKLWVBBZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-33-48(34-30-44)56(47-31-27-43(28-32-47)40-15-6-2-7-16-40)49-35-36-53(54(38-49)45-17-8-3-9-18-45)52-22-12-21-51-50-20-11-10-19-46(50)37-55(51)52/h1-36,38H,37H2.
What are the key properties of 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 713.92 g/mol, XLogP of 15.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 134320795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).