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

C70H51NS — CID 170217739

IUPAC4-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6sc7c8ccccc8ccc7c56)cc4)cc3)cc21
InChIInChI=1S/C70H51NS/c1-69(2)62-24-11-9-19-56(62)58-41-34-48(43-64(58)69)44-27-35-49(36-28-44)71(51-39-31-47(32-40-51)53-21-14-26-65-66(53)61-42-33-45-15-5-6-17-54(45)68(61)72-65)50-37-29-46(30-38-50)52-16-7-8-18-55(52)59-22-13-23-60-57-20-10-12-25-63(57)70(3,4)67(59)60/h5-43H,1-4H3
InChIKeyWGUKNFRIHSLSAP-UHFFFAOYSA-N
MW938.25 g/mol
LogP19.96
Rot. Bonds7

About 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

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 (PubChem CID 170217739) has the molecular formula C70H51NS and a molecular weight of 938.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID170217739
Molecular FormulaC70H51NS
Molecular Weight938.25 g/mol
Exact Mass937.37
IUPAC Name4-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6sc7c8ccccc8ccc7c56)cc4)cc3)cc21
InChIInChI=1S/C70H51NS/c1-69(2)62-24-11-9-19-56(62)58-41-34-48(43-64(58)69)44-27-35-49(36-28-44)71(51-39-31-47(32-40-51)53-21-14-26-65-66(53)61-42-33-45-15-5-6-17-54(45)68(61)72-65)50-37-29-46(30-38-50)52-16-7-8-18-55(52)59-22-13-23-60-57-20-10-12-25-63(57)70(3,4)67(59)60/h5-43H,1-4H3
InChIKeyWGUKNFRIHSLSAP-UHFFFAOYSA-N
XLogP19.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.25
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170215708
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzothiol-7-ylphenyl)fluoren-2-amine
CID 170216934
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217191
N-[3-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176630470
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
CID 170216259
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-8-ylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 170043862
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
1-N-(9,9-dimethylfluoren-2-yl)-3-N-(3,5-diphenylphenyl)-5-[3-(3-naphtho[1,2-b][1]benzothiol-8-ylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122634341
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6sc7c8ccccc8ccc7c56)cc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is WGUKNFRIHSLSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51NS/c1-69(2)62-24-11-9-19-56(62)58-41-34-48(43-64(58)69)44-27-35-49(36-28-44)71(51-39-31-47(32-40-51)53-21-14-26-65-66(53)61-42-33-45-15-5-6-17-54(45)68(61)72-65)50-37-29-46(30-38-50)52-16-7-8-18-55(52)59-22-13-23-60-57-20-10-12-25-63(57)70(3,4)67(59)60/h5-43H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 938.25 g/mol, XLogP of 19.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170217739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).