chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

C48H39AuClNO2P+ — CID 164666242

IUPACchlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESC[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)[PH+]1Oc2c(c(-c3ccccc3)cc3ccccc23)-c2c(-c3ccccc3)cc3ccccc3c2O1.Cl[Au]
InChIInChI=1S/C48H38NO2P.Au.ClH/c1-33(35-19-7-3-8-20-35)49(34(2)36-21-9-4-10-22-36)52-50-47-41-29-17-15-27-39(41)31-43(37-23-11-5-12-24-37)45(47)46-44(38-25-13-6-14-26-38)32-40-28-16-18-30-42(40)48(46)51-52;;/h3-34H,1-2H3;;1H/q;+1;/t33-,34-;;/m0../s1
InChIKeyCFSYBWJBUAFEBD-QNMHLEHBSA-N
MW925.24 g/mol
LogP14.24
Rot. Bonds7

About chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (PubChem CID 164666242) has the molecular formula C48H39AuClNO2P+ and a molecular weight of 925.24 g/mol. Its IUPAC name is chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

Molecular Properties

Compound Namechlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
PubChem CID164666242
Molecular FormulaC48H39AuClNO2P+
Molecular Weight925.24 g/mol
Exact Mass924.21
IUPAC Namechlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESC[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)[PH+]1Oc2c(c(-c3ccccc3)cc3ccccc23)-c2c(-c3ccccc3)cc3ccccc3c2O1.Cl[Au]
InChIInChI=1S/C48H38NO2P.Au.ClH/c1-33(35-19-7-3-8-20-35)49(34(2)36-21-9-4-10-22-36)52-50-47-41-29-17-15-27-39(41)31-43(37-23-11-5-12-24-37)45(47)46-44(38-25-13-6-14-26-38)32-40-28-16-18-30-42(40)48(46)51-52;;/h3-34H,1-2H3;;1H/q;+1;/t33-,34-;;/m0../s1
InChIKeyCFSYBWJBUAFEBD-QNMHLEHBSA-N
XLogP14.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.24
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine with MolForge

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Related Compounds

N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;copper(1+)
CID 134946185
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
2-chloro-1,3-diphenylnaphthalene
CID 12697982
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
17-hydroxy-3,31-diphenyl-16,18-dioxa-17λ5-phosphaheptacyclo[17.12.0.02,15.05,14.08,13.020,29.021,26]hentriaconta-1(31),2,4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene 17-oxide;13-hydroxy-3,23-diphenyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 162169936
2,2,5-triphenylbenzo[h]chromene
CID 13007765
13-methyl-10,16-bis(4-phenylphenyl)-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 135083340
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
13-hydroxy-10,16-bis(4-methylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110717
N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide
CID 102425196
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
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CID 58895447

Frequently Asked Questions

What is the IUPAC name of chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The IUPAC name of chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (CID 164666242) is chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.
What is the SMILES notation for chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The canonical SMILES for chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is C[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)[PH+]1Oc2c(c(-c3ccccc3)cc3ccccc23)-c2c(-c3ccccc3)cc3ccccc3c2O1.Cl[Au].
What is the InChIKey of chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The InChIKey is CFSYBWJBUAFEBD-QNMHLEHBSA-N. The full InChI is InChI=1S/C48H38NO2P.Au.ClH/c1-33(35-19-7-3-8-20-35)49(34(2)36-21-9-4-10-22-36)52-50-47-41-29-17-15-27-39(41)31-43(37-23-11-5-12-24-37)45(47)46-44(38-25-13-6-14-26-38)32-40-28-16-18-30-42(40)48(46)51-52;;/h3-34H,1-2H3;;1H/q;+1;/t33-,34-;;/m0../s1.
What are the key properties of chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine has a molecular weight of 925.24 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;3,23-diphenyl-N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is sourced from PubChem (CID 164666242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).