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

C62H39NS2 — CID 138476010

IUPACN-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c2)cc1
InChIInChI=1S/C62H39NS2/c1-2-17-40(18-3-1)41-19-16-20-42(37-41)63(43-33-35-51-47(38-43)45-21-4-6-23-49(45)61(51)53-25-8-12-29-57(53)64-58-30-13-9-26-54(58)61)44-34-36-52-48(39-44)46-22-5-7-24-50(46)62(52)55-27-10-14-31-59(55)65-60-32-15-11-28-56(60)62/h1-39H
InChIKeyXKPCSAMJHNUKIZ-UHFFFAOYSA-N
MW862.14 g/mol
LogP16.48
Rot. Bonds4

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

N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine (PubChem CID 138476010) has the molecular formula C62H39NS2 and a molecular weight of 862.14 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
PubChem CID138476010
Molecular FormulaC62H39NS2
Molecular Weight862.14 g/mol
Exact Mass861.25
IUPAC NameN-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c2)cc1
InChIInChI=1S/C62H39NS2/c1-2-17-40(18-3-1)41-19-16-20-42(37-41)63(43-33-35-51-47(38-43)45-21-4-6-23-49(45)61(51)53-25-8-12-29-57(53)64-58-30-13-9-26-54(58)61)44-34-36-52-48(39-44)46-22-5-7-24-50(46)62(52)55-27-10-14-31-59(55)65-60-32-15-11-28-56(60)62/h1-39H
InChIKeyXKPCSAMJHNUKIZ-UHFFFAOYSA-N
XLogP16.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.14
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 158194308
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308471
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477200
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine (CID 138476010) is N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The InChIKey is XKPCSAMJHNUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NS2/c1-2-17-40(18-3-1)41-19-16-20-42(37-41)63(43-33-35-51-47(38-43)45-21-4-6-23-49(45)61(51)53-25-8-12-29-57(53)64-58-30-13-9-26-54(58)61)44-34-36-52-48(39-44)46-22-5-7-24-50(46)62(52)55-27-10-14-31-59(55)65-60-32-15-11-28-56(60)62/h1-39H.
What are the key properties of N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine has a molecular weight of 862.14 g/mol, XLogP of 16.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine is sourced from PubChem (CID 138476010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).