11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine

C53H35NS — CID 118145968

IUPAC11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3cccc5c3sc3ccccc35)c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C53H35NS/c1-4-15-36(16-5-1)37-27-29-42(30-28-37)54(41-21-8-3-9-22-41)43-31-32-44-47-33-38-17-10-11-18-39(38)34-49(47)53(50(44)35-43,40-19-6-2-7-20-40)48-25-14-24-46-45-23-12-13-26-51(45)55-52(46)48/h1-35H
InChIKeyRGEBKADXGIOGJL-UHFFFAOYSA-N
MW717.94 g/mol
LogP14.71
Rot. Bonds6

About 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine

11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine (PubChem CID 118145968) has the molecular formula C53H35NS and a molecular weight of 717.94 g/mol. Its IUPAC name is 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine.

Molecular Properties

Compound Name11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
PubChem CID118145968
Molecular FormulaC53H35NS
Molecular Weight717.94 g/mol
Exact Mass717.25
IUPAC Name11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3cccc5c3sc3ccccc35)c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C53H35NS/c1-4-15-36(16-5-1)37-27-29-42(30-28-37)54(41-21-8-3-9-22-41)43-31-32-44-47-33-38-17-10-11-18-39(38)34-49(47)53(50(44)35-43,40-19-6-2-7-20-40)48-25-14-24-46-45-23-12-13-26-51(45)55-52(46)48/h1-35H
InChIKeyRGEBKADXGIOGJL-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.94
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
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-(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-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-xanthene]-2-amine
CID 171766773
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675334
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine
CID 153433797
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 171451843

Frequently Asked Questions

What is the IUPAC name of 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The IUPAC name of 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine (CID 118145968) is 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine.
What is the SMILES notation for 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The canonical SMILES for 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3cccc5c3sc3ccccc35)c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The InChIKey is RGEBKADXGIOGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS/c1-4-15-36(16-5-1)37-27-29-42(30-28-37)54(41-21-8-3-9-22-41)43-31-32-44-47-33-38-17-10-11-18-39(38)34-49(47)53(50(44)35-43,40-19-6-2-7-20-40)48-25-14-24-46-45-23-12-13-26-51(45)55-52(46)48/h1-35H.
What are the key properties of 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine has a molecular weight of 717.94 g/mol, XLogP of 14.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzothiophen-4-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 118145968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).