N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine

C55H42N2 — CID 121343768

IUPACN-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(Nc5cccc6ccccc56)c(-c5ccccc5)c4)ccc3Nc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C55H42N2/c1-55(2)50-22-12-11-21-46(50)49-36-43(26-31-51(49)55)48-35-42(27-32-53(48)56-44-29-24-38(25-30-44)37-14-5-3-6-15-37)41-28-33-54(47(34-41)40-16-7-4-8-17-40)57-52-23-13-19-39-18-9-10-20-45(39)52/h3-36,56-57H,1-2H3
InChIKeyAVHANGPNUVMLAZ-UHFFFAOYSA-N
MW730.96 g/mol
LogP15.30
Rot. Bonds8

About N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine

N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine (PubChem CID 121343768) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
PubChem CID121343768
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC NameN-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(Nc5cccc6ccccc56)c(-c5ccccc5)c4)ccc3Nc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C55H42N2/c1-55(2)50-22-12-11-21-46(50)49-36-43(26-31-51(49)55)48-35-42(27-32-53(48)56-44-29-24-38(25-30-44)37-14-5-3-6-15-37)41-28-33-54(47(34-41)40-16-7-4-8-17-40)57-52-23-13-19-39-18-9-10-20-45(39)52/h3-36,56-57H,1-2H3
InChIKeyAVHANGPNUVMLAZ-UHFFFAOYSA-N
XLogP15.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 515.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 134535870
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-2-(2-methyl-5-phenylphenyl)-4-naphthalen-1-ylaniline
CID 118198686
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
The IUPAC name of N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine (CID 121343768) is N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccc(Nc5cccc6ccccc56)c(-c5ccccc5)c4)ccc3Nc3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
The InChIKey is AVHANGPNUVMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)50-22-12-11-21-46(50)49-36-43(26-31-51(49)55)48-35-42(27-32-53(48)56-44-29-24-38(25-30-44)37-14-5-3-6-15-37)41-28-33-54(47(34-41)40-16-7-4-8-17-40)57-52-23-13-19-39-18-9-10-20-45(39)52/h3-36,56-57H,1-2H3.
What are the key properties of N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine?
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine has a molecular weight of 730.96 g/mol, XLogP of 15.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine is sourced from PubChem (CID 121343768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).