2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline

C57H39N — CID 145280415

IUPAC2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3ccccc23)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C57H39N/c1-4-25-46-39(16-1)19-13-30-48(46)43-23-12-24-45(37-43)58(57-35-10-8-29-54(57)52-32-14-20-40-17-2-5-26-47(40)52)56-34-9-7-28-51(56)42-22-11-21-41(36-42)50-31-15-33-53-49-27-6-3-18-44(49)38-55(50)53/h1-37H,38H2
InChIKeyTVHXGEDCFXWBDM-UHFFFAOYSA-N
MW737.95 g/mol
LogP15.70
Rot. Bonds7

About 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline

2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 145280415) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
PubChem CID145280415
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC Name2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3ccccc23)cc(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C57H39N/c1-4-25-46-39(16-1)19-13-30-48(46)43-23-12-24-45(37-43)58(57-35-10-8-29-54(57)52-32-14-20-40-17-2-5-26-47(40)52)56-34-9-7-28-51(56)42-22-11-21-41(36-42)50-31-15-33-53-49-27-6-3-18-44(49)38-55(50)53/h1-37H,38H2
InChIKeyTVHXGEDCFXWBDM-UHFFFAOYSA-N
XLogP15.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]triphenylen-1-amine
CID 167272465
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
4-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline (CID 145280415) is 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccccc2N(c2cccc(-c3cccc4ccccc34)c2)c2ccccc2-c2cccc3ccccc23)cc(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
The InChIKey is TVHXGEDCFXWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-4-25-46-39(16-1)19-13-30-48(46)43-23-12-24-45(37-43)58(57-35-10-8-29-54(57)52-32-14-20-40-17-2-5-26-47(40)52)56-34-9-7-28-51(56)42-22-11-21-41(36-42)50-31-15-33-53-49-27-6-3-18-44(49)38-55(50)53/h1-37H,38H2.
What are the key properties of 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline?
2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 737.95 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-1-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 145280415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).