CID 166012433

C65H43N2SSi — CID 166012433

IUPAC—
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5[Si]6c5ccccc5)c5cccc6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C65H43N2SSi/c1-3-21-46(22-4-1)67-58-31-13-9-26-52(58)64-51(27-18-33-59(64)67)45-37-39-47(40-38-45)66(57-32-17-20-44-19-7-8-25-50(44)57)48-41-42-63-56(43-48)65(53-28-10-14-34-60(53)68-61-35-15-11-29-54(61)65)55-30-12-16-36-62(55)69(63)49-23-5-2-6-24-49/h1-43H
InChIKeyRWLHHMVVEJNWDB-UHFFFAOYSA-N
MW912.23 g/mol
LogP14.75
Rot. Bonds6

About CID 166012433

CID 166012433 (PubChem CID 166012433) has the molecular formula C65H43N2SSi and a molecular weight of 912.23 g/mol.

Molecular Properties

Compound NameCID 166012433
PubChem CID166012433
Molecular FormulaC65H43N2SSi
Molecular Weight912.23 g/mol
Exact Mass911.29
IUPAC Name—
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5[Si]6c5ccccc5)c5cccc6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C65H43N2SSi/c1-3-21-46(22-4-1)67-58-31-13-9-26-52(58)64-51(27-18-33-59(64)67)45-37-39-47(40-38-45)66(57-32-17-20-44-19-7-8-25-50(44)57)48-41-42-63-56(43-48)65(53-28-10-14-34-60(53)68-61-35-15-11-29-54(61)65)55-30-12-16-36-62(55)69(63)49-23-5-2-6-24-49/h1-43H
InChIKeyRWLHHMVVEJNWDB-UHFFFAOYSA-N
XLogP14.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.23
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine
CID 153233544
N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
CID 174022690
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
CID 166012547
CID 166012547
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
9-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-4-amine
CID 166048544
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 152980023
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575

Frequently Asked Questions

What is the IUPAC name of CID 166012433?
The IUPAC name of CID 166012433 (CID 166012433) is not available.
What is the SMILES notation for CID 166012433?
The canonical SMILES for CID 166012433 is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5[Si]6c5ccccc5)c5cccc6ccccc56)cc4)cccc32)cc1.
What is the InChIKey of CID 166012433?
The InChIKey is RWLHHMVVEJNWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N2SSi/c1-3-21-46(22-4-1)67-58-31-13-9-26-52(58)64-51(27-18-33-59(64)67)45-37-39-47(40-38-45)66(57-32-17-20-44-19-7-8-25-50(44)57)48-41-42-63-56(43-48)65(53-28-10-14-34-60(53)68-61-35-15-11-29-54(61)65)55-30-12-16-36-62(55)69(63)49-23-5-2-6-24-49/h1-43H.
What are the key properties of CID 166012433?
CID 166012433 has a molecular weight of 912.23 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166012433 is sourced from PubChem (CID 166012433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).