[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane

C50H35N3Si — CID 88869147

IUPAC[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H35N3Si/c1-4-16-39(17-5-1)54(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-34-32-37(33-35-42)36-28-30-38(31-29-36)49-45-24-10-13-25-46(45)51-50(52-49)53-47-26-14-11-22-43(47)44-23-12-15-27-48(44)53/h1-35H
InChIKeyHFMFZOOBMNSRCS-UHFFFAOYSA-N
MW705.94 g/mol
LogP9.44
Rot. Bonds7

About [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane

[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane (PubChem CID 88869147) has the molecular formula C50H35N3Si and a molecular weight of 705.94 g/mol. Its IUPAC name is [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane
PubChem CID88869147
Molecular FormulaC50H35N3Si
Molecular Weight705.94 g/mol
Exact Mass705.26
IUPAC Name[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H35N3Si/c1-4-16-39(17-5-1)54(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-34-32-37(33-35-42)36-28-30-38(31-29-36)49-45-24-10-13-25-46(45)51-50(52-49)53-47-26-14-11-22-43(47)44-23-12-15-27-48(44)53/h1-35H
InChIKeyHFMFZOOBMNSRCS-UHFFFAOYSA-N
XLogP9.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.94
LogP ≤ 59.44
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

[4-[4-carbazol-9-yl-6-(4-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 162492117
triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane
CID 123834710
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-(4-tetraphenylen-2-ylquinazolin-2-yl)carbazole
CID 177109125
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
18-[4-(4-phenylphenyl)quinazolin-2-yl]-18-azaheptacyclo[12.11.0.02,7.03,23.08,13.017,25.019,24]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),19,21,23-dodecaene
CID 164845764
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane?
The IUPAC name of [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane (CID 88869147) is [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane?
The InChIKey is HFMFZOOBMNSRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3Si/c1-4-16-39(17-5-1)54(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-34-32-37(33-35-42)36-28-30-38(31-29-36)49-45-24-10-13-25-46(45)51-50(52-49)53-47-26-14-11-22-43(47)44-23-12-15-27-48(44)53/h1-35H.
What are the key properties of [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane?
[4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane has a molecular weight of 705.94 g/mol, XLogP of 9.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-carbazol-9-ylquinazolin-4-yl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 88869147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).