2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine

C39H30N2S — CID 129194324

IUPAC2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc21
InChIInChI=1S/C39H30N2S/c1-39(2)35-16-10-9-15-31(35)32-20-17-27(24-36(32)39)40-26-18-21-37-33(23-26)34-25-30(19-22-38(34)42-37)41(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-25,40H,1-2H3
InChIKeyYDRAJHZBQWERLH-UHFFFAOYSA-N
MW558.75 g/mol
LogP11.57
Rot. Bonds5

About 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine

2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine (PubChem CID 129194324) has the molecular formula C39H30N2S and a molecular weight of 558.75 g/mol. Its IUPAC name is 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine.

Molecular Properties

Compound Name2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine
PubChem CID129194324
Molecular FormulaC39H30N2S
Molecular Weight558.75 g/mol
Exact Mass558.21
IUPAC Name2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc21
InChIInChI=1S/C39H30N2S/c1-39(2)35-16-10-9-15-31(35)32-20-17-27(24-36(32)39)40-26-18-21-37-33(23-26)34-25-30(19-22-38(34)42-37)41(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-25,40H,1-2H3
InChIKeyYDRAJHZBQWERLH-UHFFFAOYSA-N
XLogP11.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.75
LogP ≤ 511.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
N,N-bis(9,9-dimethylfluoren-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-amine
CID 146647948
4-N-dibenzothiophen-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667358
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzothiophen-2-amine
CID 163580869
7-N-[8-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-(4-phenylphenyl)-7-N-[8-(N-(4-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzothiophene-2,7-diamine
CID 157158501
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
CID 139380071
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046

Frequently Asked Questions

What is the IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine?
The IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine (CID 129194324) is 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine.
What is the SMILES notation for 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine?
The canonical SMILES for 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine is CC1(C)c2ccccc2-c2ccc(Nc3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc21.
What is the InChIKey of 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine?
The InChIKey is YDRAJHZBQWERLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2S/c1-39(2)35-16-10-9-15-31(35)32-20-17-27(24-36(32)39)40-26-18-21-37-33(23-26)34-25-30(19-22-38(34)42-37)41(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-25,40H,1-2H3.
What are the key properties of 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine?
2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine has a molecular weight of 558.75 g/mol, XLogP of 11.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9,9-dimethylfluoren-2-yl)-8-N,8-N-diphenyldibenzothiophene-2,8-diamine is sourced from PubChem (CID 129194324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).