N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine

C60H38FNS — CID 166679075

IUPACN-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc3ccccc23)cc1
InChIInChI=1S/C60H38FNS/c61-42-30-32-43(33-31-42)62(44-34-35-49-48-22-8-11-25-52(48)60(55(49)38-44)53-26-12-14-28-57(53)63-58-29-15-13-27-54(58)60)56-37-41(36-39-16-4-5-19-45(39)56)59(40-17-2-1-3-18-40)50-23-9-6-20-46(50)47-21-7-10-24-51(47)59/h1-38H
InChIKeyANTCLALSOATDPM-UHFFFAOYSA-N
MW824.04 g/mol
LogP15.64
Rot. Bonds5

About N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine

N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 166679075) has the molecular formula C60H38FNS and a molecular weight of 824.04 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID166679075
Molecular FormulaC60H38FNS
Molecular Weight824.04 g/mol
Exact Mass823.27
IUPAC NameN-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESFc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc3ccccc23)cc1
InChIInChI=1S/C60H38FNS/c61-42-30-32-43(33-31-42)62(44-34-35-49-48-22-8-11-25-52(48)60(55(49)38-44)53-26-12-14-28-57(53)63-58-29-15-13-27-54(58)60)56-37-41(36-39-16-4-5-19-45(39)56)59(40-17-2-1-3-18-40)50-23-9-6-20-46(50)47-21-7-10-24-51(47)59/h1-38H
InChIKeyANTCLALSOATDPM-UHFFFAOYSA-N
XLogP15.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine (CID 166679075) is N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine is Fc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2cc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is ANTCLALSOATDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38FNS/c61-42-30-32-43(33-31-42)62(44-34-35-49-48-22-8-11-25-52(48)60(55(49)38-44)53-26-12-14-28-57(53)63-58-29-15-13-27-54(58)60)56-37-41(36-39-16-4-5-19-45(39)56)59(40-17-2-1-3-18-40)50-23-9-6-20-46(50)47-21-7-10-24-51(47)59/h1-38H.
What are the key properties of N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine?
N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 824.04 g/mol, XLogP of 15.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[3-(9-phenylfluoren-9-yl)naphthalen-1-yl]spiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 166679075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).