N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine

C53H39NS — CID 170138694

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C53H39NS/c1-52(2)43-25-11-8-22-42(43)50-40(23-15-27-45(50)52)38-20-9-13-28-47(38)54(48-29-16-24-41-39-21-10-14-30-49(39)55-51(41)48)35-31-32-37-36-19-7-12-26-44(36)53(3,46(37)33-35)34-17-5-4-6-18-34/h4-33H,1-3H3
InChIKeyALCNEJHHVMTPBF-UHFFFAOYSA-N
MW721.97 g/mol
LogP14.83
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine (PubChem CID 170138694) has the molecular formula C53H39NS and a molecular weight of 721.97 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine
PubChem CID170138694
Molecular FormulaC53H39NS
Molecular Weight721.97 g/mol
Exact Mass721.28
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C53H39NS/c1-52(2)43-25-11-8-22-42(43)50-40(23-15-27-45(50)52)38-20-9-13-28-47(38)54(48-29-16-24-41-39-21-10-14-30-49(39)55-51(41)48)35-31-32-37-36-19-7-12-26-44(36)53(3,46(37)33-35)34-17-5-4-6-18-34/h4-33H,1-3H3
InChIKeyALCNEJHHVMTPBF-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.97
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
CID 167218672
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylphenyl)fluoren-2-amine
CID 121391711
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 171453229
N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
CID 171453391

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine (CID 170138694) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine?
The InChIKey is ALCNEJHHVMTPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NS/c1-52(2)43-25-11-8-22-42(43)50-40(23-15-27-45(50)52)38-20-9-13-28-47(38)54(48-29-16-24-41-39-21-10-14-30-49(39)55-51(41)48)35-31-32-37-36-19-7-12-26-44(36)53(3,46(37)33-35)34-17-5-4-6-18-34/h4-33H,1-3H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine has a molecular weight of 721.97 g/mol, XLogP of 14.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 170138694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).