3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane

C115H77N5Si — CID 158311970

About 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane

3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 158311970) has the molecular formula C115H77N5Si and a molecular weight of 1557.00 g/mol. Its IUPAC name is 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
• PubChem CID: 158311970
• Molecular Formula: C115H77N5Si
• Molecular Weight: 1557.00 g/mol
• Exact Mass: 1555.59
• IUPAC Name: 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
• SMILES: N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1
• InChI: InChI=1S/C66H46N2Si.C49H31N3/c1-5-20-47(21-6-1)48-22-17-25-53(42-48)67-63-36-15-13-34-59(63)61-45-51(38-40-65(61)67)52-39-41-66-62(46-52)60-35-14-16-37-64(60)68(66)54-26-18-23-49(43-54)50-24-19-33-58(44-50)69(55-27-7-2-8-28-55,56-29-9-3-10-30-56)57-31-11-4-12-32-57;50-32-33-11-8-14-35(27-33)37-16-10-18-41(29-37)52-47-22-7-5-20-43(47)45-31-39(24-26-49(45)52)38-23-25-48-44(30-38)42-19-4-6-21-46(42)51(48)40-17-9-15-36(28-40)34-12-2-1-3-13-34/h1-46H;1-31H
• InChIKey: GNUBYDYYAWSHFX-UHFFFAOYSA-N
• XLogP: 27.01
• TPSA: 43.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1557.00
LogP ≤ 5	27.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

The IUPAC name of 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (CID 158311970) is 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.

What is the SMILES notation for 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

The canonical SMILES for 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane is N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)c1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5)ccc43)c2)cc1.

What is the InChIKey of 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

The InChIKey is GNUBYDYYAWSHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si.C49H31N3/c1-5-20-47(21-6-1)48-22-17-25-53(42-48)67-63-36-15-13-34-59(63)61-45-51(38-40-65(61)67)52-39-41-66-62(46-52)60-35-14-16-37-64(60)68(66)54-26-18-23-49(43-54)50-24-19-33-58(44-50)69(55-27-7-2-8-28-55,56-29-9-3-10-30-56)57-31-11-4-12-32-57;50-32-33-11-8-14-35(27-33)37-16-10-18-41(29-37)52-47-22-7-5-20-43(47)45-31-39(24-26-49(45)52)38-23-25-48-44(30-38)42-19-4-6-21-46(42)51(48)40-17-9-15-36(28-40)34-12-2-1-3-13-34/h1-46H;1-31H.

What are the key properties of 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane has a molecular weight of 1557.00 g/mol, XLogP of 27.01, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile;triphenyl-[3-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 158311970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).