7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine

C43H31NS — CID 118405294

IUPAC7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C43H31NS/c1-43(2)37-25-23-32(27-36(37)41-38(43)26-24-35-34-16-8-9-18-40(34)45-42(35)41)44(39-17-10-14-30-13-6-7-15-33(30)39)31-21-19-29(20-22-31)28-11-4-3-5-12-28/h3-27H,1-2H3
InChIKeyMYELAROYEUVANB-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine

7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine (PubChem CID 118405294) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
PubChem CID118405294
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC Name7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C43H31NS/c1-43(2)37-25-23-32(27-36(37)41-38(43)26-24-35-34-16-8-9-18-40(34)45-42(35)41)44(39-17-10-14-30-13-6-7-15-33(30)39)31-21-19-29(20-22-31)28-11-4-3-5-12-28/h3-27H,1-2H3
InChIKeyMYELAROYEUVANB-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405381
N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 162178782
N-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 118405241
N-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 144660694
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160975238
N-[2-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 169039618
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
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
2-N-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;2-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-triphenylen-2-ylfluorene-2,7-diamine;7-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-triphenylen-2-ylfluorene-2,7-diamine
CID 158885148
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-6-phenylbenzo[a]fluoren-8-amine
CID 170372796
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]fluoren-2-amine
CID 129123964

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
The IUPAC name of 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine (CID 118405294) is 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine.
What is the SMILES notation for 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
The canonical SMILES for 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
The InChIKey is MYELAROYEUVANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)37-25-23-32(27-36(37)41-38(43)26-24-35-34-16-8-9-18-40(34)45-42(35)41)44(39-17-10-14-30-13-6-7-15-33(30)39)31-21-19-29(20-22-31)28-11-4-3-5-12-28/h3-27H,1-2H3.
What are the key properties of 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine?
7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine has a molecular weight of 593.80 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine is sourced from PubChem (CID 118405294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).