N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C68H43NS2 — CID 138476002

IUPACN-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C68H43NS2/c1-2-18-44(19-3-1)45-34-36-46(37-35-45)49-20-6-13-29-62(49)69(47-39-41-56-53(42-47)51-22-5-8-24-55(51)67(56)57-25-9-14-30-63(57)70-64-31-15-10-26-58(64)67)48-38-40-52-50-21-4-7-23-54(50)68(61(52)43-48)59-27-11-16-32-65(59)71-66-33-17-12-28-60(66)68/h1-43H
InChIKeyLBHSSFVYXIBEQS-UHFFFAOYSA-N
MW938.23 g/mol
LogP18.15
Rot. Bonds5

About N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 138476002) has the molecular formula C68H43NS2 and a molecular weight of 938.23 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID138476002
Molecular FormulaC68H43NS2
Molecular Weight938.23 g/mol
Exact Mass937.28
IUPAC NameN-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C68H43NS2/c1-2-18-44(19-3-1)45-34-36-46(37-35-45)49-20-6-13-29-62(49)69(47-39-41-56-53(42-47)51-22-5-8-24-55(51)67(56)57-25-9-14-30-63(57)70-64-31-15-10-26-58(64)67)48-38-40-52-50-21-4-7-23-54(50)68(61(52)43-48)59-27-11-16-32-65(59)71-66-33-17-12-28-60(66)68/h1-43H
InChIKeyLBHSSFVYXIBEQS-UHFFFAOYSA-N
XLogP18.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.23
LogP ≤ 518.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[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

Related Compounds

3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
2',7'-ditert-butyl-N-[2-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 174283001
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476060
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1'-amine
CID 167290013
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170116685
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
CID 146333787

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 138476002) is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is LBHSSFVYXIBEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NS2/c1-2-18-44(19-3-1)45-34-36-46(37-35-45)49-20-6-13-29-62(49)69(47-39-41-56-53(42-47)51-22-5-8-24-55(51)67(56)57-25-9-14-30-63(57)70-64-31-15-10-26-58(64)67)48-38-40-52-50-21-4-7-23-54(50)68(61(52)43-48)59-27-11-16-32-65(59)71-66-33-17-12-28-60(66)68/h1-43H.
What are the key properties of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 938.23 g/mol, XLogP of 18.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 138476002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).