4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane

C163H111N7Si2 — CID 160844798

About 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane

4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane (PubChem CID 160844798) has the molecular formula C163H111N7Si2 and a molecular weight of 2223.90 g/mol. Its IUPAC name is 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane.

Molecular Properties

• Compound Name: 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane
• PubChem CID: 160844798
• Molecular Formula: C163H111N7Si2
• Molecular Weight: 2223.90 g/mol
• Exact Mass: 2221.84
• IUPAC Name: 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane
• SMILES: N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)ccc32)cc1
• InChI: InChI=1S/2C60H42N2Si.C43H27N3/c1-6-19-43(20-7-1)44-21-18-24-48(39-44)62-59-38-34-46(45-33-37-58-55(40-45)53-31-16-17-32-57(53)61(58)47-22-8-2-9-23-47)41-56(59)54-36-35-52(42-60(54)62)63(49-25-10-3-11-26-49,50-27-12-4-13-28-50)51-29-14-5-15-30-51;1-5-19-47(20-6-1)61-57-30-15-13-28-53(57)55-41-45(34-38-59(55)61)46-35-39-60-56(42-46)54-29-14-16-31-58(54)62(60)48-21-17-18-44(40-48)43-32-36-52(37-33-43)63(49-22-7-2-8-23-49,50-24-9-3-10-25-50)51-26-11-4-12-27-51;44-28-29-17-19-30(20-18-29)31-9-8-12-35(25-31)46-41-16-7-5-14-37(41)39-27-33(22-24-43(39)46)32-21-23-42-38(26-32)36-13-4-6-15-40(36)45(42)34-10-2-1-3-11-34/h2*1-42H;1-27H
• InChIKey: SIMQSLHWLWGPNI-UHFFFAOYSA-N
• XLogP: 36.27
• TPSA: 53.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2223.90
LogP ≤ 5	36.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane?

The IUPAC name of 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane (CID 160844798) is 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane.

What is the SMILES notation for 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane?

The canonical SMILES for 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane is N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)ccc32)cc1.

What is the InChIKey of 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane?

The InChIKey is SIMQSLHWLWGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H42N2Si.C43H27N3/c1-6-19-43(20-7-1)44-21-18-24-48(39-44)62-59-38-34-46(45-33-37-58-55(40-45)53-31-16-17-32-57(53)61(58)47-22-8-2-9-23-47)41-56(59)54-36-35-52(42-60(54)62)63(49-25-10-3-11-26-49,50-27-12-4-13-28-50)51-29-14-5-15-30-51;1-5-19-47(20-6-1)61-57-30-15-13-28-53(57)55-41-45(34-38-59(55)61)46-35-39-60-56(42-46)54-29-14-16-31-58(54)62(60)48-21-17-18-44(40-48)43-32-36-52(37-33-43)63(49-22-7-2-8-23-49,50-24-9-3-10-25-50)51-26-11-4-12-27-51;44-28-29-17-19-30(20-18-29)31-9-8-12-35(25-31)46-41-16-7-5-14-37(41)39-27-33(22-24-43(39)46)32-21-23-42-38(26-32)36-13-4-6-15-40(36)45(42)34-10-2-1-3-11-34/h2*1-42H;1-27H.

What are the key properties of 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane?

4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane has a molecular weight of 2223.90 g/mol, XLogP of 36.27, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;triphenyl-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane;triphenyl-[6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazol-2-yl]silane is sourced from PubChem (CID 160844798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).