3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane

C109H77N5Si — CID 159887872

About 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane

3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 159887872) has the molecular formula C109H77N5Si and a molecular weight of 1484.94 g/mol. Its IUPAC name is 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 159887872
• Molecular Formula: C109H77N5Si
• Molecular Weight: 1484.94 g/mol
• Exact Mass: 1483.59
• IUPAC Name: 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C#N)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc21
• InChI: InChI=1S/C63H46N2Si.C46H31N3/c1-63(2)57-30-15-12-27-51(57)52-36-35-46(42-58(52)63)65-60-32-17-14-29-54(60)56-40-44(34-38-62(56)65)43-33-37-61-55(39-43)53-28-13-16-31-59(53)64(61)45-19-18-26-50(41-45)66(47-20-6-3-7-21-47,48-22-8-4-9-23-48)49-24-10-5-11-25-49;1-46(2)40-15-6-3-12-34(40)35-21-20-33(27-41(35)46)49-43-17-8-5-14-37(43)39-26-31(19-23-45(39)49)30-18-22-44-38(25-30)36-13-4-7-16-42(36)48(44)32-11-9-10-29(24-32)28-47/h3-42H,1-2H3;3-27H,1-2H3
• InChIKey: NUJCEJVGKYFWRM-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 43.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1484.94
LogP ≤ 5	24.96
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-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 159887872) is 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C#N)c5)ccc43)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc21.

What is the InChIKey of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is NUJCEJVGKYFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2Si.C46H31N3/c1-63(2)57-30-15-12-27-51(57)52-36-35-46(42-58(52)63)65-60-32-17-14-29-54(60)56-40-44(34-38-62(56)65)43-33-37-61-55(39-43)53-28-13-16-31-59(53)64(61)45-19-18-26-50(41-45)66(47-20-6-3-7-21-47,48-22-8-4-9-23-48)49-24-10-5-11-25-49;1-46(2)40-15-6-3-12-34(40)35-21-20-33(27-41(35)46)49-43-17-8-5-14-37(43)39-26-31(19-23-45(39)49)30-18-22-44-38(25-30)36-13-4-7-16-42(36)48(44)32-11-9-10-29(24-32)28-47/h3-42H,1-2H3;3-27H,1-2H3.

What are the key properties of 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane?

3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 1484.94 g/mol, XLogP of 24.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 159887872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).