[3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane

C48H34N2Si — CID 172534654

About [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane

[3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane (PubChem CID 172534654) has the molecular formula C48H34N2Si and a molecular weight of 681.99 g/mol. Its IUPAC name is [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
• PubChem CID: 172534654
• Molecular Formula: C48H34N2Si
• Molecular Weight: 681.99 g/mol
• Exact Mass: 681.34
• IUPAC Name: [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c4c(c5c([2H])c([2H])c([2H])c([2H])c5n4-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c32)c([2H])c1[2H]
• InChI: InChI=1S/C48H34N2Si/c1-5-18-35(19-6-1)50-44-30-15-13-28-41(44)42-32-33-46-47(48(42)50)43-29-14-16-31-45(43)49(46)36-20-17-27-40(34-36)51(37-21-7-2-8-22-37,38-23-9-3-10-24-38)39-25-11-4-12-26-39/h1-34H/i1D,5D,6D,13D,14D,15D,16D,18D,19D,28D,29D,30D,31D,32D,33D
• InChIKey: QIXSQYLLWMGWIH-IXDYUCOZSA-N
• XLogP: 9.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.99
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane (CID 172534654) is [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c4c(c5c([2H])c([2H])c([2H])c([2H])c5n4-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c32)c([2H])c1[2H].

What is the InChIKey of [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane?

The InChIKey is QIXSQYLLWMGWIH-IXDYUCOZSA-N. The full InChI is InChI=1S/C48H34N2Si/c1-5-18-35(19-6-1)50-44-30-15-13-28-41(44)42-32-33-46-47(48(42)50)43-29-14-16-31-45(43)49(46)36-20-17-27-40(34-36)51(37-21-7-2-8-22-37,38-23-9-3-10-24-38)39-25-11-4-12-26-39/h1-34H/i1D,5D,6D,13D,14D,15D,16D,18D,19D,28D,29D,30D,31D,32D,33D.

What are the key properties of [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane?

[3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane has a molecular weight of 681.99 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1,2,3,4,6,7,8,9,10,11-decadeuterio-12-(2,3,4,5,6-pentadeuteriophenyl)indolo[3,2-c]carbazol-5-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 172534654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).