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

C37H27NS — CID 177121851

IUPAC9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cc21
InChIInChI=1S/C37H27NS/c1-37(2)33-13-6-5-10-29(33)30-21-19-26(22-34(30)37)38-25-17-14-24(15-18-25)28-11-7-12-31-32-20-16-23-8-3-4-9-27(23)36(32)39-35(28)31/h3-22,38H,1-2H3
InChIKeyYQNOVRTZDFHUCX-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-2-amine

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine (PubChem CID 177121851) 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-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
PubChem CID177121851
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-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cc21
InChIInChI=1S/C37H27NS/c1-37(2)33-13-6-5-10-29(33)30-21-19-26(22-34(30)37)38-25-17-14-24(15-18-25)28-11-7-12-31-32-20-16-23-8-3-4-9-27(23)36(32)39-35(28)31/h3-22,38H,1-2H3
InChIKeyYQNOVRTZDFHUCX-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

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

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121677
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-3-amine
CID 167230911
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
3-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 154972890
N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 177121667
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine (CID 177121851) is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine?
The InChIKey is YQNOVRTZDFHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)33-13-6-5-10-29(33)30-21-19-26(22-34(30)37)38-25-17-14-24(15-18-25)28-11-7-12-31-32-20-16-23-8-3-4-9-27(23)36(32)39-35(28)31/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-2-amine?
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-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-2-amine is sourced from PubChem (CID 177121851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).