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+))

C110H84Au2N4O2P2 — CID 159093599

IUPAC2-(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+))
SMILESCC(C)(C)c1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cccc3)n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3[c-]cccc3)c2)cc1.[Au+3].[Au+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H32NOP.C35H24NOP.2C18H14N.2Au/c1-39(2,3)33-23-19-31(20-24-33)38-28-32(27-37(40-38)30-13-7-4-8-14-30)29-21-25-36(26-22-29)42(41,34-15-9-5-10-16-34)35-17-11-6-12-18-35;37-38(31-17-9-3-10-18-31,32-19-11-4-12-20-32)33-23-21-27(22-24-33)30-25-34(28-13-5-1-6-14-28)36-35(26-30)29-15-7-2-8-16-29;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-13,15-19,21-28H,1-3H3;1-13,15,17-26H;2*1-2,4-15H;;/q2*-2;2*-1;2*+3
InChIKeyQAUBIWFMJWWNRZ-UHFFFAOYSA-N
MW1949.79 g/mol
LogP25.85
Rot. Bonds18

About 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+))

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+)) (PubChem CID 159093599) has the molecular formula C110H84Au2N4O2P2 and a molecular weight of 1949.79 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Name2-(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+))
PubChem CID159093599
Molecular FormulaC110H84Au2N4O2P2
Molecular Weight1949.79 g/mol
Exact Mass1948.54
IUPAC Name2-(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+))
SMILESCC(C)(C)c1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cccc3)n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3[c-]cccc3)c2)cc1.[Au+3].[Au+3].[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1.[c-]1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H32NOP.C35H24NOP.2C18H14N.2Au/c1-39(2,3)33-23-19-31(20-24-33)38-28-32(27-37(40-38)30-13-7-4-8-14-30)29-21-25-36(26-22-29)42(41,34-15-9-5-10-16-34)35-17-11-6-12-18-35;37-38(31-17-9-3-10-18-31,32-19-11-4-12-20-32)33-23-21-27(22-24-33)30-25-34(28-13-5-1-6-14-28)36-35(26-30)29-15-7-2-8-16-29;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-13,15-19,21-28H,1-3H3;1-13,15,17-26H;2*1-2,4-15H;;/q2*-2;2*-1;2*+3
InChIKeyQAUBIWFMJWWNRZ-UHFFFAOYSA-N
XLogP25.85
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001949.79
LogP ≤ 525.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-phenylpyridine;bis(N,N-diphenylaniline);4-(4-diphenylphosphorylphenyl)-2,6-di(phenyl)pyridine;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-(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
2,6-bis(4-tert-butylbenzene-6-id-1-yl)-4-[(E)-2-diphenylphosphorylethenyl]pyridine;N,N-diphenylaniline;gold(3+)
CID 154620940
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
2-(4-tert-butylbenzene-6-id-1-yl)-4-(4-diphenylphosphorylphenyl)-6-(4-methoxybenzene-6-id-1-yl)pyridine;ethenylbenzene;gold(3+)
CID 154620925
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
4-(4-diethoxyphosphorylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 101467297
4-[2-(4-diphenylphosphorylphenyl)-4-pyridinyl]-N,N-diphenylaniline
CID 102144285
4-(4-tert-butylphenyl)-2-chloro-6-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58280757
2-[6-[4-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine;iridium(3+);bis(2-phenylpyridine)
CID 59156336

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) is CC(C)(C)c1c[c-]c(-c2cc(-c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)cc(-c3[c-]cccc3)n2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3[c-]cccc3)nc(-c3[c-]cccc3)c2)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-phenylpyridine;bis(N,N-diphenylaniline);4-(4-diphenylphosphorylphenyl)-2,6-di(phenyl)pyridine;bis(gold(3+))?
The InChIKey is QAUBIWFMJWWNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32NOP.C35H24NOP.2C18H14N.2Au/c1-39(2,3)33-23-19-31(20-24-33)38-28-32(27-37(40-38)30-13-7-4-8-14-30)29-21-25-36(26-22-29)42(41,34-15-9-5-10-16-34)35-17-11-6-12-18-35;37-38(31-17-9-3-10-18-31,32-19-11-4-12-20-32)33-23-21-27(22-24-33)30-25-34(28-13-5-1-6-14-28)36-35(26-30)29-15-7-2-8-16-29;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h4-13,15-19,21-28H,1-3H3;1-13,15,17-26H;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-phenylpyridine;bis(N,N-diphenylaniline);4-(4-diphenylphosphorylphenyl)-2,6-di(phenyl)pyridine;bis(gold(3+))?
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+)) has a molecular weight of 1949.79 g/mol, XLogP of 25.85, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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+)) is sourced from PubChem (CID 159093599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).