platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

C46H36N4Pt — CID 154595157

About platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 154595157) has the molecular formula C46H36N4Pt and a molecular weight of 839.90 g/mol. Its IUPAC name is platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

Molecular Properties

• Compound Name: platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
• PubChem CID: 154595157
• Molecular Formula: C46H36N4Pt
• Molecular Weight: 839.90 g/mol
• Exact Mass: 839.26
• IUPAC Name: platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
• SMILES: CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(N(c4[c-]c(-c5ccccn5)ccc4)c4[c-]c(-c5ccccn5)ccc4)cc1c32.[Pt+2]
• InChI: InChI=1S/C46H36N4.Pt/c1-45(2)36-19-5-7-23-42(36)50-43-24-8-6-20-37(43)46(3,4)39-30-35(29-38(45)44(39)50)49(33-17-13-15-31(27-33)40-21-9-11-25-47-40)34-18-14-16-32(28-34)41-22-10-12-26-48-41;/h5-26,29-30H,1-4H3;/q-2;+2
• InChIKey: DBRVIAQMCKQXSY-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.90
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The IUPAC name of platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (CID 154595157) is platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

What is the SMILES notation for platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The canonical SMILES for platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is CC1(C)c2ccccc2N2c3ccccc3C(C)(C)c3cc(N(c4[c-]c(-c5ccccn5)ccc4)c4[c-]c(-c5ccccn5)ccc4)cc1c32.[Pt+2].

What is the InChIKey of platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The InChIKey is DBRVIAQMCKQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4.Pt/c1-45(2)36-19-5-7-23-42(36)50-43-24-8-6-20-37(43)46(3,4)39-30-35(29-38(45)44(39)50)49(33-17-13-15-31(27-33)40-21-9-11-25-47-40)34-18-14-16-32(28-34)41-22-10-12-26-48-41;/h5-26,29-30H,1-4H3;/q-2;+2.

What are the key properties of platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine has a molecular weight of 839.90 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 154595157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).