10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine

C56H47NS — CID 176821697

IUPAC10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine
SMILESCC(C)(C)c1cccc2c1sc1c3c(ccc12)-c1cc(N(c2ccc(-c4cccc5ccccc45)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)ccc1C3(C)C
InChIInChI=1S/C56H47NS/c1-54(2,3)49-21-13-19-44-45-30-29-43-46-32-37(27-31-48(46)56(6,7)51(43)53(45)58-52(44)49)57(38-26-28-42-41-17-10-11-20-47(41)55(4,5)50(42)33-38)36-24-22-35(23-25-36)40-18-12-15-34-14-8-9-16-39(34)40/h8-33H,1-7H3
InChIKeyPVDIORCGKSQIMS-UHFFFAOYSA-N
MW766.07 g/mol
LogP16.25
Rot. Bonds4

About 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine

10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine (PubChem CID 176821697) has the molecular formula C56H47NS and a molecular weight of 766.07 g/mol. Its IUPAC name is 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine.

Molecular Properties

Compound Name10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine
PubChem CID176821697
Molecular FormulaC56H47NS
Molecular Weight766.07 g/mol
Exact Mass765.34
IUPAC Name10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine
SMILESCC(C)(C)c1cccc2c1sc1c3c(ccc12)-c1cc(N(c2ccc(-c4cccc5ccccc45)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)ccc1C3(C)C
InChIInChI=1S/C56H47NS/c1-54(2,3)49-21-13-19-44-45-30-29-43-46-32-37(27-31-48(46)56(6,7)51(43)53(45)58-52(44)49)57(38-26-28-42-41-17-10-11-20-47(41)55(4,5)50(42)33-38)36-24-22-35(23-25-36)40-18-12-15-34-14-8-9-16-39(34)40/h8-33H,1-7H3
InChIKeyPVDIORCGKSQIMS-UHFFFAOYSA-N
XLogP16.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.07
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
8,10-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[1,2-b][1]benzothiol-1-amine
CID 176821739
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
7-tert-butyl-N-[2-(6-tert-butyldibenzothiophen-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315922
6-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
CID 174315832
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
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-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-3-amine
CID 177121482
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine?
The IUPAC name of 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine (CID 176821697) is 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine.
What is the SMILES notation for 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine?
The canonical SMILES for 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine is CC(C)(C)c1cccc2c1sc1c3c(ccc12)-c1cc(N(c2ccc(-c4cccc5ccccc45)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)ccc1C3(C)C.
What is the InChIKey of 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine?
The InChIKey is PVDIORCGKSQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47NS/c1-54(2,3)49-21-13-19-44-45-30-29-43-46-32-37(27-31-48(46)56(6,7)51(43)53(45)58-52(44)49)57(38-26-28-42-41-17-10-11-20-47(41)55(4,5)50(42)33-38)36-24-22-35(23-25-36)40-18-12-15-34-14-8-9-16-39(34)40/h8-33H,1-7H3.
What are the key properties of 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine?
10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine has a molecular weight of 766.07 g/mol, XLogP of 16.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoreno[1,2-b][1]benzothiol-3-amine is sourced from PubChem (CID 176821697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).