platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

C48H34N2Pt — CID 166586944

About platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 166586944) has the molecular formula C48H34N2Pt and a molecular weight of 833.89 g/mol. Its IUPAC name is platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

Molecular Properties

• Compound Name: platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
• PubChem CID: 166586944
• Molecular Formula: C48H34N2Pt
• Molecular Weight: 833.89 g/mol
• Exact Mass: 833.24
• IUPAC Name: platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
• SMILES: CC1(C)c2cc(N(c3[c-]c(-c4[c-]cccc4)ccc3)c3[c-]c(-c4[c-]cccc4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.[Pt+4]
• InChI: InChI=1S/C48H34N2.Pt/c1-47(2)40-25-13-23-38-39-24-14-26-41-45(39)50(44(38)40)46-42(47)29-37(30-43(46)48(41,3)4)49(35-21-11-19-33(27-35)31-15-7-5-8-16-31)36-22-12-20-34(28-36)32-17-9-6-10-18-32;/h5-15,17,19-26,29-30H,1-4H3;/q-4;+4
• InChIKey: WLVHOBYLEHFPBE-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.89
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The IUPAC name of platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (CID 166586944) is platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

What is the SMILES notation for platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The canonical SMILES for platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is CC1(C)c2cc(N(c3[c-]c(-c4[c-]cccc4)ccc3)c3[c-]c(-c4[c-]cccc4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.[Pt+4].

What is the InChIKey of platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The InChIKey is WLVHOBYLEHFPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2.Pt/c1-47(2)40-25-13-23-38-39-24-14-26-41-45(39)50(44(38)40)46-42(47)29-37(30-43(46)48(41,3)4)49(35-21-11-19-33(27-35)31-15-7-5-8-16-31)36-22-12-20-34(28-36)32-17-9-6-10-18-32;/h5-15,17,19-26,29-30H,1-4H3;/q-4;+4.

What are the key properties of platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine has a molecular weight of 833.89 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 166586944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).