N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine

C55H35NS — CID 164793891

IUPACN-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
SMILESc1ccc(-c2cccc3c(N(c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5cccc6cccc4c56)c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C55H35NS/c1-2-15-37(16-3-1)42-21-12-23-45-43(42)22-13-28-51(45)56(40-31-30-36-14-4-5-17-39(36)34-40)41-32-33-53-50(35-41)55(48-26-8-9-29-52(48)57-53)47-25-7-6-20-44(47)46-24-10-18-38-19-11-27-49(55)54(38)46/h1-35H
InChIKeyLVQBRNSXEGODAO-UHFFFAOYSA-N
MW741.96 g/mol
LogP15.11
Rot. Bonds4

About N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine

N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine (PubChem CID 164793891) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
PubChem CID164793891
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC NameN-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
SMILESc1ccc(-c2cccc3c(N(c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5cccc6cccc4c56)c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C55H35NS/c1-2-15-37(16-3-1)42-21-12-23-45-43(42)22-13-28-51(45)56(40-31-30-36-14-4-5-17-39(36)34-40)41-32-33-53-50(35-41)55(48-26-8-9-29-52(48)57-53)47-25-7-6-20-44(47)46-24-10-18-38-19-11-27-49(55)54(38)46/h1-35H
InChIKeyLVQBRNSXEGODAO-UHFFFAOYSA-N
XLogP15.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.96
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794895
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 159418135
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 164794861
N-phenyl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine;N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-amine
CID 165022027
N-naphthalen-2-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-9'-amine
CID 164955814
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794037
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
CID 164794491
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine?
The IUPAC name of N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine (CID 164793891) is N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine is c1ccc(-c2cccc3c(N(c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5-c5cccc6cccc4c56)c4ccc5ccccc5c4)cccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine?
The InChIKey is LVQBRNSXEGODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-2-15-37(16-3-1)42-21-12-23-45-43(42)22-13-28-51(45)56(40-31-30-36-14-4-5-17-39(36)34-40)41-32-33-53-50(35-41)55(48-26-8-9-29-52(48)57-53)47-25-7-6-20-44(47)46-24-10-18-38-19-11-27-49(55)54(38)46/h1-35H.
What are the key properties of N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine?
N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine has a molecular weight of 741.96 g/mol, XLogP of 15.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine is sourced from PubChem (CID 164793891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).