N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine

C49H33NS — CID 118298289

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C49H33NS/c1-4-17-35(18-5-1)49(36-19-6-2-7-20-36)45-28-12-10-24-41(45)42-31-30-39(33-46(42)49)50(37-21-8-3-9-22-37)38-23-14-16-34(32-38)40-26-15-27-44-43-25-11-13-29-47(43)51-48(40)44/h1-33H
InChIKeyABUKMHHDNPFRSY-UHFFFAOYSA-N
MW667.88 g/mol
LogP13.55
Rot. Bonds6

About N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine

N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine (PubChem CID 118298289) has the molecular formula C49H33NS and a molecular weight of 667.88 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
PubChem CID118298289
Molecular FormulaC49H33NS
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
SMILESc1ccc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C49H33NS/c1-4-17-35(18-5-1)49(36-19-6-2-7-20-36)45-28-12-10-24-41(45)42-31-30-39(33-46(42)49)50(37-21-8-3-9-22-37)38-23-14-16-34(32-38)40-26-15-27-44-43-25-11-13-29-47(43)51-48(40)44/h1-33H
InChIKeyABUKMHHDNPFRSY-UHFFFAOYSA-N
XLogP13.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118298525
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
N-(3-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308696
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine
CID 153433797
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine (CID 118298289) is N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
The InChIKey is ABUKMHHDNPFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NS/c1-4-17-35(18-5-1)49(36-19-6-2-7-20-36)45-28-12-10-24-41(45)42-31-30-39(33-46(42)49)50(37-21-8-3-9-22-37)38-23-14-16-34(32-38)40-26-15-27-44-43-25-11-13-29-47(43)51-48(40)44/h1-33H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine?
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine has a molecular weight of 667.88 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 118298289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).