N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine

C48H32N2S — CID 144907082

IUPACN-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine
SMILESCC1(C)c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccnc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C48H32N2S/c1-48(2)41-23-20-30(28-40(41)46-42(48)24-22-37-36-15-8-10-18-45(36)51-47(37)46)50(44-25-26-49-43-17-9-7-16-38(43)44)29-19-21-35-33-13-4-3-11-31(33)32-12-5-6-14-34(32)39(35)27-29/h3-28H,1-2H3
InChIKeyHYSKJDVUTWGKEB-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.84
Rot. Bonds3

About N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine

N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine (PubChem CID 144907082) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine
PubChem CID144907082
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC NameN-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine
SMILESCC1(C)c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccnc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C48H32N2S/c1-48(2)41-23-20-30(28-40(41)46-42(48)24-22-37-36-15-8-10-18-45(36)51-47(37)46)50(44-25-26-49-43-17-9-7-16-38(43)44)29-19-21-35-33-13-4-3-11-31(33)32-12-5-6-14-34(32)39(35)27-29/h3-28H,1-2H3
InChIKeyHYSKJDVUTWGKEB-UHFFFAOYSA-N
XLogP13.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-triphenylen-2-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405309
7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
CID 118405294
N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405381
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-(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
7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine
CID 158075221
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130465215
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
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-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118553019
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-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-triphenylen-2-yldibenzothiophen-3-amine;N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine;4-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-3-amine
CID 160539416

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine?
The IUPAC name of N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine (CID 144907082) is N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine.
What is the SMILES notation for N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine?
The canonical SMILES for N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine is CC1(C)c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccnc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine?
The InChIKey is HYSKJDVUTWGKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-48(2)41-23-20-30(28-40(41)46-42(48)24-22-37-36-15-8-10-18-45(36)51-47(37)46)50(44-25-26-49-43-17-9-7-16-38(43)44)29-19-21-35-33-13-4-3-11-31(33)32-12-5-6-14-34(32)39(35)27-29/h3-28H,1-2H3.
What are the key properties of N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine?
N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine has a molecular weight of 668.87 g/mol, XLogP of 13.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-N-triphenylen-2-ylquinolin-4-amine is sourced from PubChem (CID 144907082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).