10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine

C56H41NS — CID 159614176

IUPAC10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3c2ccc2ccccc32)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C56H41NS/c1-55(2)47-21-11-12-22-49(47)56(50-23-13-14-24-53(50)58-54-46-20-10-9-19-42(46)29-35-51(54)56)52-37-45(34-36-48(52)55)57(43-30-25-40(26-31-43)38-15-5-3-6-16-38)44-32-27-41(28-33-44)39-17-7-4-8-18-39/h3-37H,1-2H3
InChIKeyUBFCUTHJXPKEND-UHFFFAOYSA-N
MW760.02 g/mol
LogP15.13
Rot. Bonds5

About 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine

10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine (PubChem CID 159614176) has the molecular formula C56H41NS and a molecular weight of 760.02 g/mol. Its IUPAC name is 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine.

Molecular Properties

Compound Name10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine
PubChem CID159614176
Molecular FormulaC56H41NS
Molecular Weight760.02 g/mol
Exact Mass759.30
IUPAC Name10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3c2ccc2ccccc32)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C56H41NS/c1-55(2)47-21-11-12-22-49(47)56(50-23-13-14-24-53(50)58-54-46-20-10-9-19-42(46)29-35-51(54)56)52-37-45(34-36-48(52)55)57(43-30-25-40(26-31-43)38-15-5-3-6-16-38)44-32-27-41(28-33-44)39-17-7-4-8-18-39/h3-37H,1-2H3
InChIKeyUBFCUTHJXPKEND-UHFFFAOYSA-N
XLogP15.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.02
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158479969
N-[4-(12,12-dimethylspiro[benzo[a]anthracene-7,9'-thioxanthene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 158479968
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)thioxanthen-4-amine
CID 118134144
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 167177545
N-(9,9-dimethylfluoren-2-yl)-9,9-diphenyl-N-(4-phenylphenyl)thioxanthen-4-amine
CID 118134158
N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
12,12,22,22-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118122815
8,8-dimethyl-5-N,16-N-di(phenanthren-3-yl)-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633681
2-[3-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-4'-yl)phenyl]-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 146494903

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine?
The IUPAC name of 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine (CID 159614176) is 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine.
What is the SMILES notation for 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine?
The canonical SMILES for 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine is CC1(C)c2ccccc2C2(c3ccccc3Sc3c2ccc2ccccc32)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine?
The InChIKey is UBFCUTHJXPKEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NS/c1-55(2)47-21-11-12-22-49(47)56(50-23-13-14-24-53(50)58-54-46-20-10-9-19-42(46)29-35-51(54)56)52-37-45(34-36-48(52)55)57(43-30-25-40(26-31-43)38-15-5-3-6-16-38)44-32-27-41(28-33-44)39-17-7-4-8-18-39/h3-37H,1-2H3.
What are the key properties of 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine?
10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine has a molecular weight of 760.02 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-9,7'-benzo[c]thioxanthene]-2-amine is sourced from PubChem (CID 159614176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).