N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline

C44H34N2 — CID 118534522

IUPACN-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline
SMILESc1ccc(NCc2cccc(Nc3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C44H34N2/c1-4-16-34(17-5-1)44(35-18-6-2-7-19-35)41-25-12-10-24-39(41)40-28-27-33(30-42(40)44)38-23-11-13-26-43(38)46-37-22-14-15-32(29-37)31-45-36-20-8-3-9-21-36/h1-30,45-46H,31H2
InChIKeyFOTMYEJFOCRBLU-UHFFFAOYSA-N
MW590.77 g/mol
LogP11.07
Rot. Bonds8

About N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline

N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline (PubChem CID 118534522) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline.

Molecular Properties

Compound NameN-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline
PubChem CID118534522
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC NameN-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline
SMILESc1ccc(NCc2cccc(Nc3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C44H34N2/c1-4-16-34(17-5-1)44(35-18-6-2-7-19-35)41-25-12-10-24-39(41)40-28-27-33(30-42(40)44)38-23-11-13-26-43(38)46-37-22-14-15-32(29-37)31-45-36-20-8-3-9-21-36/h1-30,45-46H,31H2
InChIKeyFOTMYEJFOCRBLU-UHFFFAOYSA-N
XLogP11.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 511.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine
CID 121291558
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
9,9-diphenyl-N-(2-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 153470826
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
9,9-diphenyl-2-[2,3,4,5-tetrakis(9,9-diphenylfluoren-2-yl)phenyl]fluorene
CID 59733842
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904

Frequently Asked Questions

What is the IUPAC name of N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline?
The IUPAC name of N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline (CID 118534522) is N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline.
What is the SMILES notation for N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline?
The canonical SMILES for N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline is c1ccc(NCc2cccc(Nc3ccccc3-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline?
The InChIKey is FOTMYEJFOCRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-4-16-34(17-5-1)44(35-18-6-2-7-19-35)41-25-12-10-24-39(41)40-28-27-33(30-42(40)44)38-23-11-13-26-43(38)46-37-22-14-15-32(29-37)31-45-36-20-8-3-9-21-36/h1-30,45-46H,31H2.
What are the key properties of N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline?
N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline has a molecular weight of 590.77 g/mol, XLogP of 11.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline is sourced from PubChem (CID 118534522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).