CID 163534183

C44H29N3Si- — CID 163534183

IUPAC—
SMILESN#Cc1ccc(-c2ccc([Si-](c3ccccc3)(c3ccccc3)c3ccccc3)c(C#N)c2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H29N3Si/c45-30-34-25-24-33(29-43(34)47-41-22-12-10-20-39(41)40-21-11-13-23-42(40)47)32-26-27-44(35(28-32)31-46)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H/q-1
InChIKeyWTTZSFAGFFHCDZ-UHFFFAOYSA-N
MW627.82 g/mol
LogP7.57
Rot. Bonds6

About CID 163534183

CID 163534183 (PubChem CID 163534183) has the molecular formula C44H29N3Si- and a molecular weight of 627.82 g/mol.

Molecular Properties

Compound NameCID 163534183
PubChem CID163534183
Molecular FormulaC44H29N3Si-
Molecular Weight627.82 g/mol
Exact Mass627.21
IUPAC Name—
SMILESN#Cc1ccc(-c2ccc([Si-](c3ccccc3)(c3ccccc3)c3ccccc3)c(C#N)c2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H29N3Si/c45-30-34-25-24-33(29-43(34)47-41-22-12-10-20-39(41)40-21-11-13-23-42(40)47)32-26-27-44(35(28-32)31-46)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H/q-1
InChIKeyWTTZSFAGFFHCDZ-UHFFFAOYSA-N
XLogP7.57
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.82
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 163475796
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2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
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2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
2-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-isocyanobenzonitrile
CID 161076684
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzonitrile
CID 138736607
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483

Frequently Asked Questions

What is the IUPAC name of CID 163534183?
The IUPAC name of CID 163534183 (CID 163534183) is not available.
What is the SMILES notation for CID 163534183?
The canonical SMILES for CID 163534183 is N#Cc1ccc(-c2ccc([Si-](c3ccccc3)(c3ccccc3)c3ccccc3)c(C#N)c2)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of CID 163534183?
The InChIKey is WTTZSFAGFFHCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3Si/c45-30-34-25-24-33(29-43(34)47-41-22-12-10-20-39(41)40-21-11-13-23-42(40)47)32-26-27-44(35(28-32)31-46)48(36-14-4-1-5-15-36,37-16-6-2-7-17-37)38-18-8-3-9-19-38/h1-29H/q-1.
What are the key properties of CID 163534183?
CID 163534183 has a molecular weight of 627.82 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163534183 is sourced from PubChem (CID 163534183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).