N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C60H45NS — CID 170217420

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc21
InChIInChI=1S/C60H45NS/c1-59(2)52-23-10-7-17-46(52)48-36-35-42(37-54(48)59)61(41-33-29-39(30-34-41)44-20-14-26-56-57(44)51-19-9-12-25-55(51)62-56)40-31-27-38(28-32-40)43-15-5-6-16-45(43)49-21-13-22-50-47-18-8-11-24-53(47)60(3,4)58(49)50/h5-37H,1-4H3
InChIKeyCXVRUSLBNMVIFP-UHFFFAOYSA-N
MW812.09 g/mol
LogP17.14
Rot. Bonds6

About N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 170217420) has the molecular formula C60H45NS and a molecular weight of 812.09 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID170217420
Molecular FormulaC60H45NS
Molecular Weight812.09 g/mol
Exact Mass811.33
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc21
InChIInChI=1S/C60H45NS/c1-59(2)52-23-10-7-17-46(52)48-36-35-42(37-54(48)59)61(41-33-29-39(30-34-41)44-20-14-26-56-57(44)51-19-9-12-25-55(51)62-56)40-31-27-38(28-32-40)43-15-5-6-16-45(43)49-21-13-22-50-47-18-8-11-24-53(47)60(3,4)58(49)50/h5-37H,1-4H3
InChIKeyCXVRUSLBNMVIFP-UHFFFAOYSA-N
XLogP17.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.09
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-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

N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine);bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine)
CID 159889850
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 137448805
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929149
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)aniline
CID 170217739
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170217891
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)dibenzothiophen-3-amine
CID 168807446

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 170217420) is N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3ccc(-c4cccc5sc6ccccc6c45)cc3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is CXVRUSLBNMVIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NS/c1-59(2)52-23-10-7-17-46(52)48-36-35-42(37-54(48)59)61(41-33-29-39(30-34-41)44-20-14-26-56-57(44)51-19-9-12-25-55(51)62-56)40-31-27-38(28-32-40)43-15-5-6-16-45(43)49-21-13-22-50-47-18-8-11-24-53(47)60(3,4)58(49)50/h5-37H,1-4H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 812.09 g/mol, XLogP of 17.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 170217420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).