N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine

C67H49NS — CID 171402147

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4sc5cc6c(c(-c7ccccc7)c5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C67H49NS/c1-65(2)54-29-17-14-26-48(54)50-35-32-46(39-57(50)65)68(47-33-36-51-49-27-15-18-30-55(49)66(3,4)58(51)40-47)45-34-37-60-53(38-45)64-61(69-60)41-59-63(62(64)42-20-8-5-9-21-42)52-28-16-19-31-56(52)67(59,43-22-10-6-11-23-43)44-24-12-7-13-25-44/h5-41H,1-4H3
InChIKeyFBNHAZPWWCUMAC-UHFFFAOYSA-N
MW900.20 g/mol
LogP18.17
Rot. Bonds6

About N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine (PubChem CID 171402147) has the molecular formula C67H49NS and a molecular weight of 900.20 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine
PubChem CID171402147
Molecular FormulaC67H49NS
Molecular Weight900.20 g/mol
Exact Mass899.36
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4sc5cc6c(c(-c7ccccc7)c5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C67H49NS/c1-65(2)54-29-17-14-26-48(54)50-35-32-46(39-57(50)65)68(47-33-36-51-49-27-15-18-30-55(49)66(3,4)58(51)40-47)45-34-37-60-53(38-45)64-61(69-60)41-59-63(62(64)42-20-8-5-9-21-42)52-28-16-19-31-56(52)67(59,43-22-10-6-11-23-43)44-24-12-7-13-25-44/h5-41H,1-4H3
InChIKeyFBNHAZPWWCUMAC-UHFFFAOYSA-N
XLogP18.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.20
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-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-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
CID 171402158
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-12-phenylfluoreno[2,3-b][1]benzothiol-10-amine
CID 171402194
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-2-yl-12-phenylfluoreno[2,3-b][1]benzothiol-9-amine
CID 171401772
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 163580869
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)-7,7-dimethyl-N,12-diphenylfluoreno[2,3-b][1]benzothiol-3-amine
CID 171401883
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7,7-triphenylfluoreno[2,3-b][1]benzothiol-12-amine
CID 171402184
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzothiol-9-amine
CID 171401642
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807521
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine (CID 171402147) is N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4sc5cc6c(c(-c7ccccc7)c5c4c3)-c3ccccc3C6(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine?
The InChIKey is FBNHAZPWWCUMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49NS/c1-65(2)54-29-17-14-26-48(54)50-35-32-46(39-57(50)65)68(47-33-36-51-49-27-15-18-30-55(49)66(3,4)58(51)40-47)45-34-37-60-53(38-45)64-61(69-60)41-59-63(62(64)42-20-8-5-9-21-42)52-28-16-19-31-56(52)67(59,43-22-10-6-11-23-43)44-24-12-7-13-25-44/h5-41H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine has a molecular weight of 900.20 g/mol, XLogP of 18.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine is sourced from PubChem (CID 171402147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).