N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine

C65H44N2SSi — CID 174022690

IUPACN-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5[SiH]6c5ccccc5)c5cccc6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C65H44N2SSi/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/h1-43,69H
InChIKeyHQDZAEKEQZGOIW-UHFFFAOYSA-N
MW913.23 g/mol
LogP14.48
Rot. Bonds6

About N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine

N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine (PubChem CID 174022690) has the molecular formula C65H44N2SSi and a molecular weight of 913.23 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
PubChem CID174022690
Molecular FormulaC65H44N2SSi
Molecular Weight913.23 g/mol
Exact Mass912.30
IUPAC NameN-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5[SiH]6c5ccccc5)c5cccc6ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C65H44N2SSi/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/h1-43,69H
InChIKeyHQDZAEKEQZGOIW-UHFFFAOYSA-N
XLogP14.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.23
LogP ≤ 514.48
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
CID 166012433
CID 166012433
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
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
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
The IUPAC name of 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) is N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
The canonical SMILES for N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine is c1ccc(-n2c3ccccc3c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5[SiH]6c5ccccc5)c5cccc6ccccc56)cc4)cccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
The InChIKey is HQDZAEKEQZGOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2SSi/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/h1-43,69H.
What are the key properties of N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine?
N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine has a molecular weight of 913.23 g/mol, XLogP of 14.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[5H-benzo[b][1]benzosiline-10,9'-thioxanthene]-2-amine is sourced from PubChem (CID 174022690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).