N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine

C47H31NS — CID 164730880

IUPACN-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C47H31NS/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)48(35-16-5-2-6-17-35)37-28-29-39-43(31-37)47(42-30-25-34-15-7-8-18-38(34)46(39)42)40-19-9-11-21-44(40)49-45-22-12-10-20-41(45)47/h1-31H
InChIKeyWMMBRXRMSGBQHY-UHFFFAOYSA-N
MW641.84 g/mol
LogP12.80
Rot. Bonds4

About N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine

N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine (PubChem CID 164730880) has the molecular formula C47H31NS and a molecular weight of 641.84 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
PubChem CID164730880
Molecular FormulaC47H31NS
Molecular Weight641.84 g/mol
Exact Mass641.22
IUPAC NameN-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1
InChIInChI=1S/C47H31NS/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)48(35-16-5-2-6-17-35)37-28-29-39-43(31-37)47(42-30-25-34-15-7-8-18-38(34)46(39)42)40-19-9-11-21-44(40)49-45-22-12-10-20-41(45)47/h1-31H
InChIKeyWMMBRXRMSGBQHY-UHFFFAOYSA-N
XLogP12.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.84
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 156563659
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 134216072
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193952
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]aniline
CID 118520998
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730946
N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 156563259

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine (CID 164730880) is N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccc5ccccc5c3-4)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine?
The InChIKey is WMMBRXRMSGBQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NS/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)48(35-16-5-2-6-17-35)37-28-29-39-43(31-37)47(42-30-25-34-15-7-8-18-38(34)46(39)42)40-19-9-11-21-44(40)49-45-22-12-10-20-41(45)47/h1-31H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine?
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine has a molecular weight of 641.84 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine is sourced from PubChem (CID 164730880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).