2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))

C116H93Au2F3N4O3P2 — CID 158408500

IUPAC2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))
SMILESCC(C)(C)c1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.COc1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.[Au+3].[Au+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H31F3NOP.C40H34NO2P.2C18H14N.2Au/c1-39(2,3)32-20-14-29(15-21-32)37-26-31(27-38(44-37)30-16-22-33(23-17-30)40(41,42)43)28-18-24-36(25-19-28)46(45,34-10-6-4-7-11-34)35-12-8-5-9-13-35;1-40(2,3)33-21-15-30(16-22-33)38-27-32(28-39(41-38)31-17-23-34(43-4)24-18-31)29-19-25-37(26-20-29)44(42,35-11-7-5-8-12-35)36-13-9-6-10-14-36;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-14,16,18-27H,1-3H3;5-15,17,19-28H,1-4H3;2*1-2,4-15H;;/q2*-2;2*-1;2*+3
InChIKeySFSUHEDYBOXBEK-UHFFFAOYSA-N
MW2103.92 g/mol
LogP28.18
Rot. Bonds19

About 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))

2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)) (PubChem CID 158408500) has the molecular formula C116H93Au2F3N4O3P2 and a molecular weight of 2103.92 g/mol. Its IUPAC name is 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)).

Molecular Properties

Compound Name2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))
PubChem CID158408500
Molecular FormulaC116H93Au2F3N4O3P2
Molecular Weight2103.92 g/mol
Exact Mass2102.60
IUPAC Name2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))
SMILESCC(C)(C)c1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.COc1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.[Au+3].[Au+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H31F3NOP.C40H34NO2P.2C18H14N.2Au/c1-39(2,3)32-20-14-29(15-21-32)37-26-31(27-38(44-37)30-16-22-33(23-17-30)40(41,42)43)28-18-24-36(25-19-28)46(45,34-10-6-4-7-11-34)35-12-8-5-9-13-35;1-40(2,3)33-21-15-30(16-22-33)38-27-32(28-39(41-38)31-17-23-34(43-4)24-18-31)29-19-25-37(26-20-29)44(42,35-11-7-5-8-12-35)36-13-9-6-10-14-36;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-14,16,18-27H,1-3H3;5-15,17,19-28H,1-4H3;2*1-2,4-15H;;/q2*-2;2*-1;2*+3
InChIKeySFSUHEDYBOXBEK-UHFFFAOYSA-N
XLogP28.18
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002103.92
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)) with MolForge

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Related Compounds

4-[4-bis[4-(trifluoromethyl)phenyl]phosphorylphenyl]-2,6-bis(4-tert-butylbenzene-6-id-1-yl)pyridine;N,N-diphenylaniline;gold(3+)
CID 154620911
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-phenylpyridine;bis(N,N-diphenylaniline);4-(4-diphenylphosphorylphenyl)-2,6-di(phenyl)pyridine;bis(gold(3+))
CID 159093599
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;ethene;gold(3+)
CID 154620932
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;diphenylazanide;gold(3+)
CID 154620957
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;gold(3+);isothiocyanate
CID 154620922
acetic acid;tris(2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine);gold;trifluoromethanesulfonic acid;hydrate
CID 159862323
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;ethenylbenzene;gold(3+)
CID 154620925
2,6-bis(4-tert-butylbenzene-6-id-1-yl)-4-[(E)-2-diphenylphosphorylethenyl]pyridine;N,N-diphenylaniline;gold(3+)
CID 154620940
3-diphenylphosphoryl-N,N-bis(4-methoxyphenyl)aniline
CID 121406472
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))?
The IUPAC name of 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)) (CID 158408500) is 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)).
What is the SMILES notation for 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))?
The canonical SMILES for 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)) is CC(C)(C)c1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cc(C(F)(F)F)cc3)n2)cc1.COc1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cc(C(C)(C)C)cc3)n2)cc1.[Au+3].[Au+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))?
The InChIKey is SFSUHEDYBOXBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31F3NOP.C40H34NO2P.2C18H14N.2Au/c1-39(2,3)32-20-14-29(15-21-32)37-26-31(27-38(44-37)30-16-22-33(23-17-30)40(41,42)43)28-18-24-36(25-19-28)46(45,34-10-6-4-7-11-34)35-12-8-5-9-13-35;1-40(2,3)33-21-15-30(16-22-33)38-27-32(28-39(41-38)31-17-23-34(43-4)24-18-31)29-19-25-37(26-20-29)44(42,35-11-7-5-8-12-35)36-13-9-6-10-14-36;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-14,16,18-27H,1-3H3;5-15,17,19-28H,1-4H3;2*1-2,4-15H;;/q2*-2;2*-1;2*+3.
What are the key properties of 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+))?
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)) has a molecular weight of 2103.92 g/mol, XLogP of 28.18, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(N,N-diphenylaniline);bis(gold(3+)) is sourced from PubChem (CID 158408500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).