N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine

C50H35NS — CID 159825617

IUPACN,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Cc3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C50H35NS/c1-3-14-35(15-4-1)37-26-30-40(31-27-37)51(41-32-28-38(29-33-41)36-16-5-2-6-17-36)47-23-13-22-44-42(47)34-39-18-7-8-19-43(39)50(44)45-20-9-11-24-48(45)52-49-25-12-10-21-46(49)50/h1-33H,34H2
InChIKeyIREVSFFXCZOSBK-UHFFFAOYSA-N
MW681.90 g/mol
LogP13.24
Rot. Bonds5

About N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine

N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine (PubChem CID 159825617) has the molecular formula C50H35NS and a molecular weight of 681.90 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine
PubChem CID159825617
Molecular FormulaC50H35NS
Molecular Weight681.90 g/mol
Exact Mass681.25
IUPAC NameN,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Cc3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1
InChIInChI=1S/C50H35NS/c1-3-14-35(15-4-1)37-26-30-40(31-27-37)51(41-32-28-38(29-33-41)36-16-5-2-6-17-36)47-23-13-22-44-42(47)34-39-18-7-8-19-43(39)50(44)45-20-9-11-24-48(45)52-49-25-12-10-21-46(49)50/h1-33H,34H2
InChIKeyIREVSFFXCZOSBK-UHFFFAOYSA-N
XLogP13.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.90
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-phenylphenyl)phenyl]-N-spiro[9H-anthracene-10,9'-thioxanthene]-1-yldibenzofuran-3-amine
CID 157346106
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1'-amine
CID 167290013
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-4'-amine
CID 135140219
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477854
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)fluoren-2-amine
CID 146333787
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-thioxanthene]-1-amine
CID 146333559
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine
CID 118134144
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476285

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine (CID 159825617) is N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3Cc3ccccc3C43c4ccccc4Sc4ccccc43)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine?
The InChIKey is IREVSFFXCZOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35NS/c1-3-14-35(15-4-1)37-26-30-40(31-27-37)51(41-32-28-38(29-33-41)36-16-5-2-6-17-36)47-23-13-22-44-42(47)34-39-18-7-8-19-43(39)50(44)45-20-9-11-24-48(45)52-49-25-12-10-21-46(49)50/h1-33H,34H2.
What are the key properties of N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine?
N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine has a molecular weight of 681.90 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)spiro[9H-anthracene-10,9'-thioxanthene]-1-amine is sourced from PubChem (CID 159825617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).