N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline

C55H39N — CID 169292940

IUPACN,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C55H39N/c1-5-18-40(19-6-1)42-32-35-48(36-33-42)56(47-26-11-4-12-27-47)54-39-43(41-20-7-2-8-21-41)34-37-49(54)44-22-17-25-46(38-44)55(45-23-9-3-10-24-45)52-30-15-13-28-50(52)51-29-14-16-31-53(51)55/h1-39H
InChIKeyFWWQEDKFOFBWNH-UHFFFAOYSA-N
MW713.92 g/mol
LogP14.52
Rot. Bonds8

About N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline

N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 169292940) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID169292940
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C55H39N/c1-5-18-40(19-6-1)42-32-35-48(36-33-42)56(47-26-11-4-12-27-47)54-39-43(41-20-7-2-8-21-41)34-37-49(54)44-22-17-25-46(38-44)55(45-23-9-3-10-24-45)52-30-15-13-28-50(52)51-29-14-16-31-53(51)55/h1-39H
InChIKeyFWWQEDKFOFBWNH-UHFFFAOYSA-N
XLogP14.52
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 ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-2-[3-[9-[3-[3-(N-phenylanilino)phenyl]phenyl]fluoren-9-yl]phenyl]aniline
CID 169292985
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 159688731
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
2-[3-[9-[3-(3-chlorophenyl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
CID 169293033

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 169292940) is N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)ccc3-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is FWWQEDKFOFBWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-5-18-40(19-6-1)42-32-35-48(36-33-42)56(47-26-11-4-12-27-47)54-39-43(41-20-7-2-8-21-41)34-37-49(54)44-22-17-25-46(38-44)55(45-23-9-3-10-24-45)52-30-15-13-28-50(52)51-29-14-16-31-53(51)55/h1-39H.
What are the key properties of N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 713.92 g/mol, XLogP of 14.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169292940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).