[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane

C43H30N2Si — CID 153318392

IUPAC[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
SMILES[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C43H30N2Si/c1-44-34-29-33(32-25-27-35(28-26-32)45-42-23-13-11-21-40(42)41-22-12-14-24-43(41)45)30-39(31-34)46(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38/h2-31H
InChIKeyCQBDVNXSYHCHQO-UHFFFAOYSA-N
MW602.81 g/mol
LogP8.38
Rot. Bonds6

About [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane

[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane (PubChem CID 153318392) has the molecular formula C43H30N2Si and a molecular weight of 602.81 g/mol. Its IUPAC name is [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
PubChem CID153318392
Molecular FormulaC43H30N2Si
Molecular Weight602.81 g/mol
Exact Mass602.22
IUPAC Name[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane
SMILES[C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C43H30N2Si/c1-44-34-29-33(32-25-27-35(28-26-32)45-42-23-13-11-21-40(42)41-22-12-14-24-43(41)45)30-39(31-34)46(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38/h2-31H
InChIKeyCQBDVNXSYHCHQO-UHFFFAOYSA-N
XLogP8.38
TPSA9.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.81
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
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
9-[4-[3-isocyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 167336176
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
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
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
[4-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane;[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;9-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160567340
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 169282027
3-[4-carbazol-9-yl-6-(3-isocyano-5-triphenylsilylphenyl)-1,3,5-triazin-2-yl]-5-triphenylsilylbenzonitrile
CID 171737240
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025

Frequently Asked Questions

What is the IUPAC name of [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane?
The IUPAC name of [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane (CID 153318392) is [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane.
What is the SMILES notation for [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane?
The canonical SMILES for [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane is [C-]#[N+]c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane?
The InChIKey is CQBDVNXSYHCHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2Si/c1-44-34-29-33(32-25-27-35(28-26-32)45-42-23-13-11-21-40(42)41-22-12-14-24-43(41)45)30-39(31-34)46(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38/h2-31H.
What are the key properties of [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane?
[3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane has a molecular weight of 602.81 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-carbazol-9-ylphenyl)-5-isocyanophenyl]-triphenylsilane is sourced from PubChem (CID 153318392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).