2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine

C42H30F3N3 — CID 89180659

IUPAC2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine
SMILESFc1c(N(c2ccccc2)c2ccccc2)c(F)c(N(c2ccccc2)c2ccccc2)c(F)c1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H30F3N3/c43-37-40(46(31-19-7-1-8-20-31)32-21-9-2-10-22-32)38(44)42(48(35-27-15-5-16-28-35)36-29-17-6-18-30-36)39(45)41(37)47(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H
InChIKeyPHGIRFQGFQAPDY-UHFFFAOYSA-N
MW633.72 g/mol
LogP12.51
Rot. Bonds9

About 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine

2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine (PubChem CID 89180659) has the molecular formula C42H30F3N3 and a molecular weight of 633.72 g/mol. Its IUPAC name is 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine
PubChem CID89180659
Molecular FormulaC42H30F3N3
Molecular Weight633.72 g/mol
Exact Mass633.24
IUPAC Name2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine
SMILESFc1c(N(c2ccccc2)c2ccccc2)c(F)c(N(c2ccccc2)c2ccccc2)c(F)c1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H30F3N3/c43-37-40(46(31-19-7-1-8-20-31)32-21-9-2-10-22-32)38(44)42(48(35-27-15-5-16-28-35)36-29-17-6-18-30-36)39(45)41(37)47(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H
InChIKeyPHGIRFQGFQAPDY-UHFFFAOYSA-N
XLogP12.51
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.72
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline
CID 118299311
N,N-diphenylaniline;silane
CID 131739129
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
CID 102107695
2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 166974181
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180118
3-N-(2,6-diphenylphenyl)-5-fluoro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164813849
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine?
The IUPAC name of 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine (CID 89180659) is 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine.
What is the SMILES notation for 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine?
The canonical SMILES for 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine is Fc1c(N(c2ccccc2)c2ccccc2)c(F)c(N(c2ccccc2)c2ccccc2)c(F)c1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine?
The InChIKey is PHGIRFQGFQAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F3N3/c43-37-40(46(31-19-7-1-8-20-31)32-21-9-2-10-22-32)38(44)42(48(35-27-15-5-16-28-35)36-29-17-6-18-30-36)39(45)41(37)47(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H.
What are the key properties of 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine?
2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine has a molecular weight of 633.72 g/mol, XLogP of 12.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine is sourced from PubChem (CID 89180659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).