3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane

C115H77N5Si — CID 159476950

IUPAC3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C66H46N2Si.C49H31N3/c1-6-20-47(21-7-1)51-42-52(44-58(43-51)69(55-24-10-3-11-25-55,56-26-12-4-13-27-56)57-28-14-5-15-29-57)48-34-38-54(39-35-48)68-64-33-19-17-31-60(64)62-46-50(37-41-66(62)68)49-36-40-65-61(45-49)59-30-16-18-32-63(59)67(65)53-22-8-2-9-23-53;1-50-39-23-28-49-45(32-39)44-31-38(22-27-48(44)51(49)40-15-6-3-7-16-40)37-21-26-47-43(30-37)42-17-8-9-18-46(42)52(47)41-24-19-34(20-25-41)36-14-10-13-35(29-36)33-11-4-2-5-12-33/h1-46H;2-32H
InChIKeyLWMPWIQLHFMVMG-UHFFFAOYSA-N
MW1557.00 g/mol
LogP27.69
Rot. Bonds14

About 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane

3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 159476950) has the molecular formula C115H77N5Si and a molecular weight of 1557.00 g/mol. Its IUPAC name is 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane.

Molecular Properties

Compound Name3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane
PubChem CID159476950
Molecular FormulaC115H77N5Si
Molecular Weight1557.00 g/mol
Exact Mass1555.59
IUPAC Name3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C66H46N2Si.C49H31N3/c1-6-20-47(21-7-1)51-42-52(44-58(43-51)69(55-24-10-3-11-25-55,56-26-12-4-13-27-56)57-28-14-5-15-29-57)48-34-38-54(39-35-48)68-64-33-19-17-31-60(64)62-46-50(37-41-66(62)68)49-36-40-65-61(45-49)59-30-16-18-32-63(59)67(65)53-22-8-2-9-23-53;1-50-39-23-28-49-45(32-39)44-31-38(22-27-48(44)51(49)40-15-6-3-7-16-40)37-21-26-47-43(30-37)42-17-8-9-18-46(42)52(47)41-24-19-34(20-25-41)36-14-10-13-35(29-36)33-11-4-2-5-12-33/h1-46H;2-32H
InChIKeyLWMPWIQLHFMVMG-UHFFFAOYSA-N
XLogP27.69
TPSA24.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001557.00
LogP ≤ 527.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane with MolForge

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Related Compounds

[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
CID 153318392
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
3-(3-isocyano-5-phenylphenyl)-9-phenyl-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(3-triphenylsilylphenyl)carbazole-3-carbonitrile
CID 158088648
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
CID 176784938
[3-[4-carbazol-9-yl-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836332
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane?
The IUPAC name of 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane (CID 159476950) is 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane.
What is the SMILES notation for 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane?
The canonical SMILES for 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane?
The InChIKey is LWMPWIQLHFMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si.C49H31N3/c1-6-20-47(21-7-1)51-42-52(44-58(43-51)69(55-24-10-3-11-25-55,56-26-12-4-13-27-56)57-28-14-5-15-29-57)48-34-38-54(39-35-48)68-64-33-19-17-31-60(64)62-46-50(37-41-66(62)68)49-36-40-65-61(45-49)59-30-16-18-32-63(59)67(65)53-22-8-2-9-23-53;1-50-39-23-28-49-45(32-39)44-31-38(22-27-48(44)51(49)40-15-6-3-7-16-40)37-21-26-47-43(30-37)42-17-8-9-18-46(42)52(47)41-24-19-34(20-25-41)36-14-10-13-35(29-36)33-11-4-2-5-12-33/h1-46H;2-32H.
What are the key properties of 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane?
3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane has a molecular weight of 1557.00 g/mol, XLogP of 27.69, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole;triphenyl-[3-phenyl-5-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 159476950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).