diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

C62H52N2Si — CID 177285287

About diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (PubChem CID 177285287) has the molecular formula C62H52N2Si and a molecular weight of 853.20 g/mol. Its IUPAC name is diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

Molecular Properties

• Compound Name: diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• PubChem CID: 177285287
• Molecular Formula: C62H52N2Si
• Molecular Weight: 853.20 g/mol
• Exact Mass: 852.39
• IUPAC Name: diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• SMILES: CC1(C)CCC(C)(C)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)c3)ccc21
• InChI: InChI=1S/C62H52N2Si/c1-61(2)38-39-62(3,4)56-42-49(35-36-55(56)61)65(46-23-10-6-11-24-46,47-25-12-7-13-26-47)48-27-18-20-43(40-48)50-30-19-31-53-51-28-14-17-33-58(51)64(60(50)53)45-34-37-59-54(41-45)52-29-15-16-32-57(52)63(59)44-21-8-5-9-22-44/h5-37,40-42H,38-39H2,1-4H3
• InChIKey: ALPUZUHRERXMIC-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.20
LogP ≤ 5	13.27
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 diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The IUPAC name of diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (CID 177285287) is diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

What is the SMILES notation for diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The canonical SMILES for diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is CC1(C)CCC(C)(C)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c45)c3)ccc21.

What is the InChIKey of diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The InChIKey is ALPUZUHRERXMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2Si/c1-61(2)38-39-62(3,4)56-42-49(35-36-55(56)61)65(46-23-10-6-11-24-46,47-25-12-7-13-26-47)48-27-18-20-43(40-48)50-30-19-31-53-51-28-14-17-33-58(51)64(60(50)53)45-34-37-59-54(41-45)52-29-15-16-32-57(52)63(59)44-21-8-5-9-22-44/h5-37,40-42H,38-39H2,1-4H3.

What are the key properties of diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane has a molecular weight of 853.20 g/mol, XLogP of 13.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]phenyl]-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is sourced from PubChem (CID 177285287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).