13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C135H100N12Pt3 — CID 158597154

About 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 158597154) has the molecular formula C135H100N12Pt3 and a molecular weight of 2475.60 g/mol. Its IUPAC name is 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 158597154
• Molecular Formula: C135H100N12Pt3
• Molecular Weight: 2475.60 g/mol
• Exact Mass: 2473.71
• IUPAC Name: 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2ccccc2-n2c3ccc(N(c4[c-]c(-c5ccccn5)ccc4)c4[c-]c(-c5ccccn5)ccc4)cc3c3cccc1c32.CC1(C)c2ccccc2N2c3ccc(N(c4[c-]c(-c5ccccn5)ccc4)c4[c-]c(-c5ccccn5)ccc4)cc3C(C)(C)c3cccc1c32.[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C46H34N4.C46H36N4.C43H30N4.3Pt/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-45(2)36-18-5-6-23-42(36)50-43-25-24-35(30-39(43)46(3,4)38-20-13-19-37(45)44(38)50)49(33-16-11-14-31(28-33)40-21-7-9-26-47-40)34-17-12-15-32(29-34)41-22-8-10-27-48-41;1-43(2)36-17-3-4-21-41(36)47-40-23-22-33(28-35(40)34-16-11-18-37(43)42(34)47)46(31-14-9-12-29(26-31)38-19-5-7-24-44-38)32-15-10-13-30(27-32)39-20-6-8-25-45-39;;;/h5-24,27-28H,1-4H3;5-27,30H,1-4H3;3-25,28H,1-2H3;;;/q3*-2;3*+2
• InChIKey: HECOIKOATBOIGM-UHFFFAOYSA-N
• XLogP: 33.50
• TPSA: 100.16 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2475.60
LogP ≤ 5	33.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 158597154) is 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2ccccc2-n2c3ccc(N(c4[c-]c(-c5ccccn5)ccc4)c4[c-]c(-c5ccccn5)ccc4)cc3c3cccc1c32.CC1(C)c2ccccc2N2c3ccc(N(c4[c-]c(-c5ccccn5)ccc4)c4[c-]c(-c5ccccn5)ccc4)cc3C(C)(C)c3cccc1c32.[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is HECOIKOATBOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4.C46H36N4.C43H30N4.3Pt/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-45(2)36-18-5-6-23-42(36)50-43-25-24-35(30-39(43)46(3,4)38-20-13-19-37(45)44(38)50)49(33-16-11-14-31(28-33)40-21-7-9-26-47-40)34-17-12-15-32(29-34)41-22-8-10-27-48-41;1-43(2)36-17-3-4-21-41(36)47-40-23-22-33(28-35(40)34-16-11-18-37(43)42(34)47)46(31-14-9-12-29(26-31)38-19-5-7-24-44-38)32-15-10-13-30(27-32)39-20-6-8-25-45-39;;;/h5-24,27-28H,1-4H3;5-27,30H,1-4H3;3-25,28H,1-2H3;;;/q3*-2;3*+2.

What are the key properties of 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 2475.60 g/mol, XLogP of 33.50, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-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;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(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 158597154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).