gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane

C62H83AuO4P2 — CID 71474775

About gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane

gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane (PubChem CID 71474775) has the molecular formula C62H83AuO4P2 and a molecular weight of 1151.26 g/mol. Its IUPAC name is gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane.

Molecular Properties

• Compound Name: gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane
• PubChem CID: 71474775
• Molecular Formula: C62H83AuO4P2
• Molecular Weight: 1151.26 g/mol
• Exact Mass: 1150.54
• IUPAC Name: gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane
• SMILES: CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)c1cc(C(C)C)c(-c2cc3ccccc3c3c2OP(=O)([O-])Oc2c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4ccccc4c2-3)c(C(C)C)c1.[Au+]
• InChI: InChI=1S/C50H57O4P.C12H27P.Au/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12;1-10(2,3)13(11(4,5)6)12(7,8)9;/h13-32H,1-12H3,(H,51,52);1-9H3;/q;;+1/p-1
• InChIKey: KEFMUDXTEDGISX-UHFFFAOYSA-M
• XLogP: 19.84
• TPSA: 58.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.26
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane?

The IUPAC name of gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane (CID 71474775) is gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane.

What is the SMILES notation for gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane?

The canonical SMILES for gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane is CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)c1cc(C(C)C)c(-c2cc3ccccc3c3c2OP(=O)([O-])Oc2c(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)cc4ccccc4c2-3)c(C(C)C)c1.[Au+].

What is the InChIKey of gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane?

The InChIKey is KEFMUDXTEDGISX-UHFFFAOYSA-M. The full InChI is InChI=1S/C50H57O4P.C12H27P.Au/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12;1-10(2,3)13(11(4,5)6)12(7,8)9;/h13-32H,1-12H3,(H,51,52);1-9H3;/q;;+1/p-1.

What are the key properties of gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane?

gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane has a molecular weight of 1151.26 g/mol, XLogP of 19.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for gold(1+);13-oxido-10,16-bis[2,4,6-tri(propan-2-yl)phenyl]-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;tritert-butylphosphane is sourced from PubChem (CID 71474775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).