N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline

C48H37GeNO — CID 140704897

IUPACN-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline
SMILESc1ccc(Oc2ccc(N(c3ccccc3)c3ccc(-c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H37GeNO/c1-6-16-40(17-7-1)49(41-18-8-2-9-19-41,42-20-10-3-11-21-42)43-30-26-38(27-31-43)39-28-32-45(33-29-39)50(44-22-12-4-13-23-44)46-34-36-48(37-35-46)51-47-24-14-5-15-25-47/h1-37H
InChIKeyBGNUVDCXPMPHSE-UHFFFAOYSA-N
MW716.44 g/mol
LogP9.99
Rot. Bonds10

About N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline

N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline (PubChem CID 140704897) has the molecular formula C48H37GeNO and a molecular weight of 716.44 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline
PubChem CID140704897
Molecular FormulaC48H37GeNO
Molecular Weight716.44 g/mol
Exact Mass717.21
IUPAC NameN-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline
SMILESc1ccc(Oc2ccc(N(c3ccccc3)c3ccc(-c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H37GeNO/c1-6-16-40(17-7-1)49(41-18-8-2-9-19-41,42-20-10-3-11-21-42)43-30-26-38(27-31-43)39-28-32-45(33-29-39)50(44-22-12-4-13-23-44)46-34-36-48(37-35-46)51-47-24-14-5-15-25-47/h1-37H
InChIKeyBGNUVDCXPMPHSE-UHFFFAOYSA-N
XLogP9.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms51
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.44
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline?
The IUPAC name of N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline (CID 140704897) is N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline.
What is the SMILES notation for N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline?
The canonical SMILES for N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline is c1ccc(Oc2ccc(N(c3ccccc3)c3ccc(-c4ccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline?
The InChIKey is BGNUVDCXPMPHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37GeNO/c1-6-16-40(17-7-1)49(41-18-8-2-9-19-41,42-20-10-3-11-21-42)43-30-26-38(27-31-43)39-28-32-45(33-29-39)50(44-22-12-4-13-23-44)46-34-36-48(37-35-46)51-47-24-14-5-15-25-47/h1-37H.
What are the key properties of N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline?
N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline has a molecular weight of 716.44 g/mol, XLogP of 9.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-N-phenyl-4-(4-triphenylgermylphenyl)aniline is sourced from PubChem (CID 140704897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).