N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine

C41H27NS — CID 164730946

IUPACN,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2c-3ccc3ccccc23)cc1
InChIInChI=1S/C41H27NS/c1-3-14-29(15-4-1)42(30-16-5-2-6-17-30)31-24-26-33-34-25-23-28-13-7-8-18-32(28)40(34)41(37(33)27-31)35-19-9-11-21-38(35)43-39-22-12-10-20-36(39)41/h1-27H
InChIKeyAVLZCJIKGNBWCL-UHFFFAOYSA-N
MW565.74 g/mol
LogP11.14
Rot. Bonds3

About N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine

N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine (PubChem CID 164730946) has the molecular formula C41H27NS and a molecular weight of 565.74 g/mol. Its IUPAC name is N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine.

Molecular Properties

Compound NameN,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
PubChem CID164730946
Molecular FormulaC41H27NS
Molecular Weight565.74 g/mol
Exact Mass565.19
IUPAC NameN,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2c-3ccc3ccccc23)cc1
InChIInChI=1S/C41H27NS/c1-3-14-29(15-4-1)42(30-16-5-2-6-17-30)31-24-26-33-34-25-23-28-13-7-8-18-32(28)40(34)41(37(33)27-31)35-19-9-11-21-38(35)43-39-22-12-10-20-36(39)41/h1-27H
InChIKeyAVLZCJIKGNBWCL-UHFFFAOYSA-N
XLogP11.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.74
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-2'-amine
CID 166934032
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730805
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-phenyl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-amine
CID 164730880
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794740
3-N-dibenzothiophen-2-yl-1-N-naphthalen-1-yl-1-N-phenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 166960069
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-amine
CID 140962192
N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine
CID 145138048
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 165158458

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine?
The IUPAC name of N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine (CID 164730946) is N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine.
What is the SMILES notation for N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine?
The canonical SMILES for N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2c-3ccc3ccccc23)cc1.
What is the InChIKey of N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine?
The InChIKey is AVLZCJIKGNBWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NS/c1-3-14-29(15-4-1)42(30-16-5-2-6-17-30)31-24-26-33-34-25-23-28-13-7-8-18-32(28)40(34)41(37(33)27-31)35-19-9-11-21-38(35)43-39-22-12-10-20-36(39)41/h1-27H.
What are the key properties of N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine?
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine has a molecular weight of 565.74 g/mol, XLogP of 11.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine is sourced from PubChem (CID 164730946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).