N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine

C55H35NS — CID 164794895

IUPACN-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2cccc3ccccc23)cc1
InChIInChI=1S/C55H35NS/c1-2-15-37(16-3-1)45-33-39-18-4-5-19-40(39)34-51(45)56(50-28-14-20-36-17-6-7-23-42(36)50)41-31-32-43-44-24-12-21-38-22-13-27-48(54(38)44)55(49(43)35-41)46-25-8-10-29-52(46)57-53-30-11-9-26-47(53)55/h1-35H
InChIKeyCOUNZRPBXRGWFJ-UHFFFAOYSA-N
MW741.96 g/mol
LogP15.11
Rot. Bonds4

About N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine

N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine (PubChem CID 164794895) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
PubChem CID164794895
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC NameN-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2cccc3ccccc23)cc1
InChIInChI=1S/C55H35NS/c1-2-15-37(16-3-1)45-33-39-18-4-5-19-40(39)34-51(45)56(50-28-14-20-36-17-6-7-23-42(36)50)41-31-32-43-44-24-12-21-38-22-13-27-48(54(38)44)55(49(43)35-41)46-25-8-10-29-52(46)57-53-30-11-9-26-47(53)55/h1-35H
InChIKeyCOUNZRPBXRGWFJ-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-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164793891
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-(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-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
CID 164794491
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-amine
CID 164794936
methane;N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(2-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine;N-naphthalen-2-yl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164999699
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
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
N,3-diphenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164977572
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730805
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-amine;methane;N-naphthalen-1-yl-3-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3-amine;N-naphthalen-1-yl-9'-phenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine;N-naphthalen-1-yl-9'-phenyl-N-(3-phenylnaphthalen-2-yl)-7,7'-spirobi[benzo[a]phenalene]-3-amine
CID 165069317

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine (CID 164794895) is N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine is c1ccc(-c2cc3ccccc3cc2N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2cccc3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine?
The InChIKey is COUNZRPBXRGWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-2-15-37(16-3-1)45-33-39-18-4-5-19-40(39)34-51(45)56(50-28-14-20-36-17-6-7-23-42(36)50)41-31-32-43-44-24-12-21-38-22-13-27-48(54(38)44)55(49(43)35-41)46-25-8-10-29-52(46)57-53-30-11-9-26-47(53)55/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine?
N-naphthalen-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-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-1-yl-N-(3-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine is sourced from PubChem (CID 164794895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).