[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane

C44H29N3Si — CID 153318560

IUPAC[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[N+]#[C-])c1
InChIInChI=1S/C44H29N3Si/c1-45-33-25-28-44-41(30-33)39-23-12-13-24-43(39)47(44)34-16-14-15-32(29-34)40-31-38(26-27-42(40)46-2)48(35-17-6-3-7-18-35,36-19-8-4-9-20-36)37-21-10-5-11-22-37/h3-31H
InChIKeyZWRUPIPNVIBIHJ-UHFFFAOYSA-N
MW627.82 g/mol
LogP8.93
Rot. Bonds6

About [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane

[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane (PubChem CID 153318560) has the molecular formula C44H29N3Si and a molecular weight of 627.82 g/mol. Its IUPAC name is [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
PubChem CID153318560
Molecular FormulaC44H29N3Si
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[N+]#[C-])c1
InChIInChI=1S/C44H29N3Si/c1-45-33-25-28-44-41(30-33)39-23-12-13-24-43(39)47(44)34-16-14-15-32(29-34)40-31-38(26-27-42(40)46-2)48(35-17-6-3-7-18-35,36-19-8-4-9-20-36)37-21-10-5-11-22-37/h3-31H
InChIKeyZWRUPIPNVIBIHJ-UHFFFAOYSA-N
XLogP8.93
TPSA13.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 58.93
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'}

Analyze [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
CID 140760424
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
[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-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604945
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 169282027
9-[2-[6-(3-carbazol-9-ylphenyl)-2,3-diisocyanophenyl]phenyl]-3-isocyanocarbazole
CID 155603778
9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole
CID 155605036
[3-[4-carbazol-9-yl-6-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836332
[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
9-[4-isocyano-3-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]carbazole
CID 167336195

Frequently Asked Questions

What is the IUPAC name of [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The IUPAC name of [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane (CID 153318560) is [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[N+]#[C-])c1.
What is the InChIKey of [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
The InChIKey is ZWRUPIPNVIBIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c1-45-33-25-28-44-41(30-33)39-23-12-13-24-43(39)47(44)34-16-14-15-32(29-34)40-31-38(26-27-42(40)46-2)48(35-17-6-3-7-18-35,36-19-8-4-9-20-36)37-21-10-5-11-22-37/h3-31H.
What are the key properties of [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane?
[4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane has a molecular weight of 627.82 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-isocyano-3-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 153318560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).