ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline

C176H260N4 — CID 160837320

IUPACethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H27N.2C30H23N.C24H19N.28C2H6/c1-6-16-28(17-7-1)33-26-35(30-20-10-3-11-21-30)36(27-34(33)29-18-8-2-9-19-29)37(31-22-12-4-13-23-31)32-24-14-5-15-25-32;1-5-13-24(14-6-1)26-21-22-30(29(23-26)25-15-7-2-8-16-25)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-24(14-6-1)26-21-22-29(25-15-7-2-8-16-25)30(23-26)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;28*1-2/h1-27H;2*1-23H;1-19H;28*1-2H3
InChIKeySHONGLODNSTCOR-UHFFFAOYSA-N
MW2432.04 g/mol
LogP62.70
Rot. Bonds20

About ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline

ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline (PubChem CID 160837320) has the molecular formula C176H260N4 and a molecular weight of 2432.04 g/mol. Its IUPAC name is ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline.

Molecular Properties

Compound Nameethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline
PubChem CID160837320
Molecular FormulaC176H260N4
Molecular Weight2432.04 g/mol
Exact Mass2430.05
IUPAC Nameethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H27N.2C30H23N.C24H19N.28C2H6/c1-6-16-28(17-7-1)33-26-35(30-20-10-3-11-21-30)36(27-34(33)29-18-8-2-9-19-29)37(31-22-12-4-13-23-31)32-24-14-5-15-25-32;1-5-13-24(14-6-1)26-21-22-30(29(23-26)25-15-7-2-8-16-25)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-24(14-6-1)26-21-22-29(25-15-7-2-8-16-25)30(23-26)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;28*1-2/h1-27H;2*1-23H;1-19H;28*1-2H3
InChIKeySHONGLODNSTCOR-UHFFFAOYSA-N
XLogP62.70
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002432.04
LogP ≤ 562.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline with MolForge

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline?
The IUPAC name of ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline (CID 160837320) is ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline.
What is the SMILES notation for ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline?
The canonical SMILES for ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline?
The InChIKey is SHONGLODNSTCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N.2C30H23N.C24H19N.28C2H6/c1-6-16-28(17-7-1)33-26-35(30-20-10-3-11-21-30)36(27-34(33)29-18-8-2-9-19-29)37(31-22-12-4-13-23-31)32-24-14-5-15-25-32;1-5-13-24(14-6-1)26-21-22-30(29(23-26)25-15-7-2-8-16-25)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-24(14-6-1)26-21-22-29(25-15-7-2-8-16-25)30(23-26)31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;28*1-2/h1-27H;2*1-23H;1-19H;28*1-2H3.
What are the key properties of ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline?
ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline has a molecular weight of 2432.04 g/mol, XLogP of 62.70, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2,4,5-pentakis-phenylaniline;N,N,2,4-tetraphenylaniline;N,N,2,5-tetraphenylaniline;N,N,2-triphenylaniline is sourced from PubChem (CID 160837320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).