9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine

C52H43NSSi — CID 177121482

IUPAC9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)ccc21
InChIInChI=1S/C52H43NSSi/c1-52(2)48-16-9-8-13-44(48)47-33-40(28-32-49(47)52)53(38-24-17-34(18-25-38)35-21-29-41(30-22-35)55(3,4)5)39-26-19-37(20-27-39)43-14-10-15-45-46-31-23-36-11-6-7-12-42(36)51(46)54-50(43)45/h6-33H,1-5H3
InChIKeyKJQJNXDKTVJJFP-UHFFFAOYSA-N
MW742.08 g/mol
LogP14.86
Rot. Bonds6

About 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine (PubChem CID 177121482) has the molecular formula C52H43NSSi and a molecular weight of 742.08 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine
PubChem CID177121482
Molecular FormulaC52H43NSSi
Molecular Weight742.08 g/mol
Exact Mass741.29
IUPAC Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)ccc21
InChIInChI=1S/C52H43NSSi/c1-52(2)48-16-9-8-13-44(48)47-33-40(28-32-49(47)52)53(38-24-17-34(18-25-38)35-21-29-41(30-22-35)55(3,4)5)39-26-19-37(20-27-39)43-14-10-15-45-46-31-23-36-11-6-7-12-42(36)51(46)54-50(43)45/h6-33H,1-5H3
InChIKeyKJQJNXDKTVJJFP-UHFFFAOYSA-N
XLogP14.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.08
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-3-amine
CID 177122205
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-4-amine
CID 177121372
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405183
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9-phenylcarbazol-2-amine
CID 177122369
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
N-(4-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377
N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139556418
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)dibenzofuran-2-amine
CID 170044045
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217272
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 170139092
N-(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90306203

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine (CID 177121482) is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc([Si](C)(C)C)cc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine?
The InChIKey is KJQJNXDKTVJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43NSSi/c1-52(2)48-16-9-8-13-44(48)47-33-40(28-32-49(47)52)53(38-24-17-34(18-25-38)35-21-29-41(30-22-35)55(3,4)5)39-26-19-37(20-27-39)43-14-10-15-45-46-31-23-36-11-6-7-12-42(36)51(46)54-50(43)45/h6-33H,1-5H3.
What are the key properties of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine has a molecular weight of 742.08 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 177121482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).