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

C37H27NS — CID 170289309

IUPAC9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C37H27NS/c1-37(2)31-14-6-5-11-30(31)34-32(37)15-8-16-33(34)38-25-20-17-24(18-21-25)27-12-7-13-28-29-22-19-23-9-3-4-10-26(23)36(29)39-35(27)28/h3-22,38H,1-2H3
InChIKeyMCHBKRNJLDBROX-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.92
Rot. Bonds3

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

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine (PubChem CID 170289309) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
PubChem CID170289309
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(Nc3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C37H27NS/c1-37(2)31-14-6-5-11-30(31)34-32(37)15-8-16-33(34)38-25-20-17-24(18-21-25)27-12-7-13-28-29-22-19-23-9-3-4-10-26(23)36(29)39-35(27)28/h3-22,38H,1-2H3
InChIKeyMCHBKRNJLDBROX-UHFFFAOYSA-N
XLogP10.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
CID 177121851
4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121677
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
CID 177122158
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-4-amine
CID 177114163
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline
CID 164934523
2-N-[6-[9,9-dimethyl-4-[2-(naphthalen-1-ylamino)anilino]fluoren-1-yl]-9,9-dimethylfluoren-4-yl]-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 134535870
9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine
CID 121358619
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
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-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121842

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine (CID 170289309) is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(Nc3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine?
The InChIKey is MCHBKRNJLDBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)31-14-6-5-11-30(31)34-32(37)15-8-16-33(34)38-25-20-17-24(18-21-25)27-12-7-13-28-29-22-19-23-9-3-4-10-26(23)36(29)39-35(27)28/h3-22,38H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine?
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine has a molecular weight of 517.70 g/mol, XLogP of 10.92, 3 rotatable bonds, 1 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)fluoren-4-amine is sourced from PubChem (CID 170289309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).