N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine

C64H45NS — CID 171402158

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(cc5sc6ccccc6c5c3-c3ccccc3)C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C64H45NS/c1-63(2)54-29-17-15-27-50(54)51-37-35-49(40-56(51)63)65(47-33-31-43(32-34-47)42-19-7-3-8-20-42)48-36-38-55-53(39-48)61-57(64(55,45-23-11-5-12-24-45)46-25-13-6-14-26-46)41-59-62(52-28-16-18-30-58(52)66-59)60(61)44-21-9-4-10-22-44/h3-41H,1-2H3
InChIKeyUAOMQDIQFURCGN-UHFFFAOYSA-N
MW860.14 g/mol
LogP17.53
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine

N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine (PubChem CID 171402158) has the molecular formula C64H45NS and a molecular weight of 860.14 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
PubChem CID171402158
Molecular FormulaC64H45NS
Molecular Weight860.14 g/mol
Exact Mass859.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(cc5sc6ccccc6c5c3-c3ccccc3)C4(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C64H45NS/c1-63(2)54-29-17-15-27-50(54)51-37-35-49(40-56(51)63)65(47-33-31-43(32-34-47)42-19-7-3-8-20-42)48-36-38-55-53(39-48)61-57(64(55,45-23-11-5-12-24-45)46-25-13-6-14-26-46)41-59-62(52-28-16-18-30-58(52)66-59)60(61)44-21-9-4-10-22-44/h3-41H,1-2H3
InChIKeyUAOMQDIQFURCGN-UHFFFAOYSA-N
XLogP17.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.14
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine with MolForge

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Related Compounds

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-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzothiol-9-amine
CID 171402182
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7,12-triphenylfluoreno[2,3-b][1]benzothiol-2-amine
CID 171402147
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-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
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
7,7-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine
CID 171402193
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
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-(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
9,9-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 169280776
N-(9,9-dimethylfluoren-2-yl)-9'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzothiole]-12'-amine
CID 171401587

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine (CID 171402158) is N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(cc5sc6ccccc6c5c3-c3ccccc3)C4(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
The InChIKey is UAOMQDIQFURCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NS/c1-63(2)54-29-17-15-27-50(54)51-37-35-49(40-56(51)63)65(47-33-31-43(32-34-47)42-19-7-3-8-20-42)48-36-38-55-53(39-48)61-57(64(55,45-23-11-5-12-24-45)46-25-13-6-14-26-46)41-59-62(52-28-16-18-30-58(52)66-59)60(61)44-21-9-4-10-22-44/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine has a molecular weight of 860.14 g/mol, XLogP of 17.53, 7 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)-7,7,12-triphenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzothiol-10-amine is sourced from PubChem (CID 171402158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).