N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine

C39H27Cl2NS — CID 146588933

IUPACN-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
SMILESCC1(C)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C39H27Cl2NS/c1-39(2)35-20-24(25-18-26(40)21-27(41)19-25)12-15-31(35)32-16-13-30(23-36(32)39)42(28-8-4-3-5-9-28)29-14-17-38-34(22-29)33-10-6-7-11-37(33)43-38/h3-23H,1-2H3
InChIKeyPNGYTBYYNFRHQC-UHFFFAOYSA-N
MW612.63 g/mol
LogP12.80
Rot. Bonds4

About N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine

N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine (PubChem CID 146588933) has the molecular formula C39H27Cl2NS and a molecular weight of 612.63 g/mol. Its IUPAC name is N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
PubChem CID146588933
Molecular FormulaC39H27Cl2NS
Molecular Weight612.63 g/mol
Exact Mass611.12
IUPAC NameN-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine
SMILESCC1(C)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc21
InChIInChI=1S/C39H27Cl2NS/c1-39(2)35-20-24(25-18-26(40)21-27(41)19-25)12-15-31(35)32-16-13-30(23-36(32)39)42(28-8-4-3-5-9-28)29-14-17-38-34(22-29)33-10-6-7-11-37(33)43-38/h3-23H,1-2H3
InChIKeyPNGYTBYYNFRHQC-UHFFFAOYSA-N
XLogP12.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.63
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-dibenzothiophen-2-yl-7-(3,5-dichlorophenyl)-N-phenyldibenzothiophen-2-amine
CID 146588785
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 122634190
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-dimethyl-5-phenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 155153832
8-[7-(1-benzothiophen-3-yl)-9,9-dimethylfluoren-2-yl]-N,N-diphenyldibenzothiophen-2-amine
CID 90076251
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 163519778
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146460
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine (CID 146588933) is N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine is CC1(C)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc21.
What is the InChIKey of N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine?
The InChIKey is PNGYTBYYNFRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27Cl2NS/c1-39(2)35-20-24(25-18-26(40)21-27(41)19-25)12-15-31(35)32-16-13-30(23-36(32)39)42(28-8-4-3-5-9-28)29-14-17-38-34(22-29)33-10-6-7-11-37(33)43-38/h3-23H,1-2H3.
What are the key properties of N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine?
N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine has a molecular weight of 612.63 g/mol, XLogP of 12.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-dichlorophenyl)-9,9-dimethylfluoren-2-yl]-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 146588933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).