4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline

C42H55N — CID 67826991

IUPAC4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
SMILESCCCCC(CCCC)(c1ccccc1)c1ccc(Nc2ccc(C(CCCC)(CCCC)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H55N/c1-5-9-31-41(32-10-6-2,35-19-15-13-16-20-35)37-23-27-39(28-24-37)43-40-29-25-38(26-30-40)42(33-11-7-3,34-12-8-4)36-21-17-14-18-22-36/h13-30,43H,5-12,31-34H2,1-4H3
InChIKeyWEFGKALQEKSIFU-UHFFFAOYSA-N
MW573.91 g/mol
LogP12.76
Rot. Bonds18

About 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline

4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline (PubChem CID 67826991) has the molecular formula C42H55N and a molecular weight of 573.91 g/mol. Its IUPAC name is 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
PubChem CID67826991
Molecular FormulaC42H55N
Molecular Weight573.91 g/mol
Exact Mass573.43
IUPAC Name4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline
SMILESCCCCC(CCCC)(c1ccccc1)c1ccc(Nc2ccc(C(CCCC)(CCCC)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H55N/c1-5-9-31-41(32-10-6-2,35-19-15-13-16-20-35)37-23-27-39(28-24-37)43-40-29-25-38(26-30-40)42(33-11-7-3,34-12-8-4)36-21-17-14-18-22-36/h13-30,43H,5-12,31-34H2,1-4H3
InChIKeyWEFGKALQEKSIFU-UHFFFAOYSA-N
XLogP12.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.91
LogP ≤ 512.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline?
The IUPAC name of 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline (CID 67826991) is 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline.
What is the SMILES notation for 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline?
The canonical SMILES for 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline is CCCCC(CCCC)(c1ccccc1)c1ccc(Nc2ccc(C(CCCC)(CCCC)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline?
The InChIKey is WEFGKALQEKSIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55N/c1-5-9-31-41(32-10-6-2,35-19-15-13-16-20-35)37-23-27-39(28-24-37)43-40-29-25-38(26-30-40)42(33-11-7-3,34-12-8-4)36-21-17-14-18-22-36/h13-30,43H,5-12,31-34H2,1-4H3.
What are the key properties of 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline?
4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline has a molecular weight of 573.91 g/mol, XLogP of 12.76, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylnonan-5-yl)-N-[4-(5-phenylnonan-5-yl)phenyl]aniline is sourced from PubChem (CID 67826991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).