carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

C45H37N5PtSi — CID 140804270

IUPACcarbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

SMILESCC12CCC(c3c1n[n-]c3-c1cccc([Si]3(c4ccccn4)c4ccccc4-c4ccccc43)n1)C2(C)C.[Pt+2].c1ccc2c(c1)[n-]c1ccccc12

InChIInChI=1S/C33H29N4Si.C12H8N.Pt/c1-32(2)23-18-19-33(32,3)31-29(23)30(36-37-31)24-13-10-17-28(35-24)38(27-16-8-9-20-34-27)25-14-6-4-11-21(25)22-12-5-7-15-26(22)38;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-17,20,23H,18-19H2,1-3H3;1-8H;/q2*-1;+2

InChIKeyBNWPLOXKBNKZEY-UHFFFAOYSA-N

MW870.99 g/mol

LogP6.98

Rot. Bonds3

About carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 140804270) has the molecular formula C45H37N5PtSi and a molecular weight of 870.99 g/mol. Its IUPAC name is carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name	carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID	140804270
Molecular Formula	C45H37N5PtSi
Molecular Weight	870.99 g/mol
Exact Mass	870.25
IUPAC Name	carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
SMILES	CC12CCC(c3c1n[n-]c3-c1cccc([Si]3(c4ccccn4)c4ccccc4-c4ccccc43)n1)C2(C)C.[Pt+2].c1ccc2c(c1)[n-]c1ccccc12
InChI	InChI=1S/C33H29N4Si.C12H8N.Pt/c1-32(2)23-18-19-33(32,3)31-29(23)30(36-37-31)24-13-10-17-28(35-24)38(27-16-8-9-20-34-27)25-14-6-4-11-21(25)22-12-5-7-15-26(22)38;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-17,20,23H,18-19H2,1-3H3;1-8H;/q2*-1;+2
InChIKey	BNWPLOXKBNKZEY-UHFFFAOYSA-N
XLogP	6.98
TPSA	66.87 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.99
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The IUPAC name of carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (CID 140804270) is carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

What is the SMILES notation for carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The canonical SMILES for carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is CC12CCC(c3c1n[n-]c3-c1cccc([Si]3(c4ccccn4)c4ccccc4-c4ccccc43)n1)C2(C)C.[Pt+2].c1ccc2c(c1)[n-]c1ccccc12.

What is the InChIKey of carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The InChIKey is BNWPLOXKBNKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N4Si.C12H8N.Pt/c1-32(2)23-18-19-33(32,3)31-29(23)30(36-37-31)24-13-10-17-28(35-24)38(27-16-8-9-20-34-27)25-14-6-4-11-21(25)22-12-5-7-15-26(22)38;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-17,20,23H,18-19H2,1-3H3;1-8H;/q2*-1;+2.

What are the key properties of carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 870.99 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbazol-9-ide;platinum(2+);1,10,10-trimethyl-5-[6-(5-pyridin-2-ylbenzo[b][1]benzosilol-5-yl)-2-pyridinyl]-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 140804270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).