N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine

C64H47NS — CID 169280592

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5c(-c6ccccc6)c6ccccc6c6sc7ccccc7c56)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C64H47NS/c1-63(2)54-23-13-10-18-47(54)49-36-34-45(38-56(49)63)65(46-35-37-50-48-19-11-14-24-55(48)64(3,4)57(50)39-46)44-32-30-41(31-33-44)40-26-28-43(29-27-40)60-59(42-16-6-5-7-17-42)51-20-8-9-21-52(51)62-61(60)53-22-12-15-25-58(53)66-62/h5-39H,1-4H3
InChIKeyOQJKWMANSUCRDU-UHFFFAOYSA-N
MW862.15 g/mol
LogP18.29
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 169280592) has the molecular formula C64H47NS and a molecular weight of 862.15 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID169280592
Molecular FormulaC64H47NS
Molecular Weight862.15 g/mol
Exact Mass861.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5c(-c6ccccc6)c6ccccc6c6sc7ccccc7c56)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C64H47NS/c1-63(2)54-23-13-10-18-47(54)49-36-34-45(38-56(49)63)65(46-35-37-50-48-19-11-14-24-55(48)64(3,4)57(50)39-46)44-32-30-41(31-33-44)40-26-28-43(29-27-40)60-59(42-16-6-5-7-17-42)51-20-8-9-21-52(51)62-61(60)53-22-12-15-25-58(53)66-62/h5-39H,1-4H3
InChIKeyOQJKWMANSUCRDU-UHFFFAOYSA-N
XLogP18.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.15
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280868
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
CID 169280264
9,9-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 169280776
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280286
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzothiol-9-amine
CID 171402182
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280514
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]fluoren-2-amine
CID 135277566
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919448
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
CID 171402158

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine (CID 169280592) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5c(-c6ccccc6)c6ccccc6c6sc7ccccc7c56)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is OQJKWMANSUCRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47NS/c1-63(2)54-23-13-10-18-47(54)49-36-34-45(38-56(49)63)65(46-35-37-50-48-19-11-14-24-55(48)64(3,4)57(50)39-46)44-32-30-41(31-33-44)40-26-28-43(29-27-40)60-59(42-16-6-5-7-17-42)51-20-8-9-21-52(51)62-61(60)53-22-12-15-25-58(53)66-62/h5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 862.15 g/mol, XLogP of 18.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 169280592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).