N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine

C53H39NS — CID 167218672

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C53H39NS/c1-52(2)44-24-12-10-20-39(44)40-30-28-36(32-46(40)52)54(48-26-15-23-42-41-21-11-13-27-49(41)55-51(42)48)37-29-31-43-47(33-37)53(3,35-18-8-5-9-19-35)45-25-14-22-38(50(43)45)34-16-6-4-7-17-34/h4-33H,1-3H3
InChIKeyDAILRCKPOTXVOK-UHFFFAOYSA-N
MW721.97 g/mol
LogP14.83
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine (PubChem CID 167218672) has the molecular formula C53H39NS and a molecular weight of 721.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
PubChem CID167218672
Molecular FormulaC53H39NS
Molecular Weight721.97 g/mol
Exact Mass721.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C53H39NS/c1-52(2)44-24-12-10-20-39(44)40-30-28-36(32-46(40)52)54(48-26-15-23-42-41-21-11-13-27-49(41)55-51(42)48)37-29-31-43-47(33-37)53(3,35-18-8-5-9-19-35)45-25-14-22-38(50(43)45)34-16-6-4-7-17-34/h4-33H,1-3H3
InChIKeyDAILRCKPOTXVOK-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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine with MolForge

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Related Compounds

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzothiophen-4-amine
CID 170138694
N-[4-(4-phenylphenyl)phenyl]-N-(6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-yl)dibenzothiophen-4-amine
CID 138455824
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)triphenylen-2-amine
CID 167218668
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790008
N-[4-[9,9-bis(4-dibenzothiophen-4-ylphenyl)fluoren-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164769029
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168789139
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695
N-(4-dibenzothiophen-3-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenylfluoren-2-amine
CID 171453391
N-(3-dibenzothiophen-4-yl-2-phenylphenyl)-9,9-dimethyl-5-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170023651

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine (CID 167218672) is N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine?
The InChIKey is DAILRCKPOTXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39NS/c1-52(2)44-24-12-10-20-39(44)40-30-28-36(32-46(40)52)54(48-26-15-23-42-41-21-11-13-27-49(41)55-51(42)48)37-29-31-43-47(33-37)53(3,35-18-8-5-9-19-35)45-25-14-22-38(50(43)45)34-16-6-4-7-17-34/h4-33H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-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-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 167218672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).