N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine

C53H33NS — CID 130266206

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3sc3ccccc32)cc1
InChIInChI=1S/C53H33NS/c1-2-14-38(15-3-1)54(39-26-24-35(25-27-39)37-23-22-34-12-4-5-13-36(34)32-37)40-28-29-42-41-16-6-9-19-46(41)53(49(42)33-40)47-20-10-7-18-45(47)51-48(53)31-30-44-43-17-8-11-21-50(43)55-52(44)51/h1-33H
InChIKeyMSGXRFXLXDTRQY-UHFFFAOYSA-N
MW715.92 g/mol
LogP14.69
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine

N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine (PubChem CID 130266206) has the molecular formula C53H33NS and a molecular weight of 715.92 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
PubChem CID130266206
Molecular FormulaC53H33NS
Molecular Weight715.92 g/mol
Exact Mass715.23
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3sc3ccccc32)cc1
InChIInChI=1S/C53H33NS/c1-2-14-38(15-3-1)54(39-26-24-35(25-27-39)37-23-22-34-12-4-5-13-36(34)32-37)40-28-29-42-41-16-6-9-19-46(41)53(49(42)33-40)47-20-10-7-18-45(47)51-48(53)31-30-44-43-17-8-11-21-50(43)55-52(44)51/h1-33H
InChIKeyMSGXRFXLXDTRQY-UHFFFAOYSA-N
XLogP14.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.92
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462449
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3,5-diphenylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 164985809
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 137392661
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463220
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-[4-(4-methylphenyl)phenyl]-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine;N-(2-methylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine;N-(3-methylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine;N-(4-methylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 159179236
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
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,14-diphenyl-N-spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463169
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158172410

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine (CID 130266206) is N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3sc3ccccc32)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?
The InChIKey is MSGXRFXLXDTRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NS/c1-2-14-38(15-3-1)54(39-26-24-35(25-27-39)37-23-22-34-12-4-5-13-36(34)32-37)40-28-29-42-41-16-6-9-19-46(41)53(49(42)33-40)47-20-10-7-18-45(47)51-48(53)31-30-44-43-17-8-11-21-50(43)55-52(44)51/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine?
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine has a molecular weight of 715.92 g/mol, XLogP of 14.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine is sourced from PubChem (CID 130266206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).