2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline

C44H32N2 — CID 69101182

IUPAC2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc3ccccc3c2)c(Nc2ccc(-c3ccc(Nc4ccccc4-c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C44H32N2/c1-2-12-35-30-36(21-20-31(35)10-1)40-15-5-7-18-43(40)45-37-26-22-32(23-27-37)33-24-28-38(29-25-33)46-44-19-8-6-16-42(44)41-17-9-13-34-11-3-4-14-39(34)41/h1-30,45-46H
InChIKeyYUCWPXYVIUXWJN-UHFFFAOYSA-N
MW588.75 g/mol
LogP12.48
Rot. Bonds7

About 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline

2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline (PubChem CID 69101182) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
PubChem CID69101182
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc3ccccc3c2)c(Nc2ccc(-c3ccc(Nc4ccccc4-c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C44H32N2/c1-2-12-35-30-36(21-20-31(35)10-1)40-15-5-7-18-43(40)45-37-26-22-32(23-27-37)33-24-28-38(29-25-33)46-44-19-8-6-16-42(44)41-17-9-13-34-11-3-4-14-39(34)41/h1-30,45-46H
InChIKeyYUCWPXYVIUXWJN-UHFFFAOYSA-N
XLogP12.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
CID 89331007
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine
CID 143548310

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline?
The IUPAC name of 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline (CID 69101182) is 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline.
What is the SMILES notation for 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline?
The canonical SMILES for 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline is c1ccc(-c2ccc3ccccc3c2)c(Nc2ccc(-c3ccc(Nc4ccccc4-c4cccc5ccccc45)cc3)cc2)c1.
What is the InChIKey of 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline?
The InChIKey is YUCWPXYVIUXWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2/c1-2-12-35-30-36(21-20-31(35)10-1)40-15-5-7-18-43(40)45-37-26-22-32(23-27-37)33-24-28-38(29-25-33)46-44-19-8-6-16-42(44)41-17-9-13-34-11-3-4-14-39(34)41/h1-30,45-46H.
What are the key properties of 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline?
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline has a molecular weight of 588.75 g/mol, XLogP of 12.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 69101182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).