3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane

C115H77N5Si — CID 159265297

About 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane

3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane (PubChem CID 159265297) has the molecular formula C115H77N5Si and a molecular weight of 1557.00 g/mol. Its IUPAC name is 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 159265297
• Molecular Formula: C115H77N5Si
• Molecular Weight: 1557.00 g/mol
• Exact Mass: 1555.59
• IUPAC Name: 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane
• SMILES: N#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc32)c1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)cc3)cc2)cc1
• InChI: InChI=1S/C66H46N2Si.C49H31N3/c1-5-18-47(19-6-1)48-32-34-49(35-33-48)50-36-40-53(41-37-50)67-63-30-15-13-28-59(63)61-44-51(38-42-65(61)67)52-39-43-66-62(45-52)60-29-14-16-31-64(60)68(66)54-20-17-27-58(46-54)69(55-21-7-2-8-22-55,56-23-9-3-10-24-56)57-25-11-4-12-26-57;50-32-33-9-8-12-41(29-33)52-47-16-7-5-14-43(47)45-31-39(24-28-49(45)52)38-23-27-48-44(30-38)42-13-4-6-15-46(42)51(48)40-25-21-37(22-26-40)36-19-17-35(18-20-36)34-10-2-1-3-11-34/h1-46H;1-31H
• InChIKey: KXADLBAXFMLRDK-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-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane (CID 159265297) is 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane.

What is the SMILES notation for 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane?

The canonical SMILES for 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane is N#Cc1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc32)c1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)cc3)cc2)cc1.

What is the InChIKey of 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane?

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

What are the key properties of 3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane?

3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]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-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;triphenyl-[3-[3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 159265297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).