N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline

C55H35NOS — CID 167177079

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1
InChIInChI=1S/C55H35NOS/c1-2-15-39(16-3-1)56(40-31-28-36(29-32-40)42-20-13-27-53-54(42)44-19-5-11-26-52(44)58-53)41-17-12-14-37(34-41)38-30-33-47-45(35-38)43-18-4-6-21-46(43)55(47)48-22-7-9-24-50(48)57-51-25-10-8-23-49(51)55/h1-35H
InChIKeyGSJOFWZUPAGWSX-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.33
Rot. Bonds5

About N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline

N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline (PubChem CID 167177079) has the molecular formula C55H35NOS and a molecular weight of 757.96 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline
PubChem CID167177079
Molecular FormulaC55H35NOS
Molecular Weight757.96 g/mol
Exact Mass757.24
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1
InChIInChI=1S/C55H35NOS/c1-2-15-39(16-3-1)56(40-31-28-36(29-32-40)42-20-13-27-53-54(42)44-19-5-11-26-52(44)58-53)41-17-12-14-37(34-41)38-30-33-47-45(35-38)43-18-4-6-21-46(43)55(47)48-22-7-9-24-50(48)57-51-25-10-8-23-49(51)55/h1-35H
InChIKeyGSJOFWZUPAGWSX-UHFFFAOYSA-N
XLogP15.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477752
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839391
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167177645
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 161395935
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-(4-phenylphenyl)-N-spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463343
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline (CID 167177079) is N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline is c1ccc(N(c2ccc(-c3cccc4sc5ccccc5c34)cc2)c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline?
The InChIKey is GSJOFWZUPAGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NOS/c1-2-15-39(16-3-1)56(40-31-28-36(29-32-40)42-20-13-27-53-54(42)44-19-5-11-26-52(44)58-53)41-17-12-14-37(34-41)38-30-33-47-45(35-38)43-18-4-6-21-46(43)55(47)48-22-7-9-24-50(48)57-51-25-10-8-23-49(51)55/h1-35H.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline?
N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline has a molecular weight of 757.96 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-phenyl-3-spiro[fluorene-9,9'-xanthene]-3-ylaniline is sourced from PubChem (CID 167177079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).