N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine

C55H35NO2S — CID 138582115

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H35NO2S/c1-4-14-38(15-5-1)55(39-16-6-2-7-17-39)46-22-12-10-21-45(46)53-47(55)31-33-49-54(53)58-48-32-29-42(35-50(48)57-49)56(40-18-8-3-9-19-40)41-27-24-36(25-28-41)37-26-30-44-43-20-11-13-23-51(43)59-52(44)34-37/h1-35H
InChIKeyXAYUSZGDSXHECT-UHFFFAOYSA-N
MW773.96 g/mol
LogP15.45
Rot. Bonds6

About N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine

N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine (PubChem CID 138582115) has the molecular formula C55H35NO2S and a molecular weight of 773.96 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
PubChem CID138582115
Molecular FormulaC55H35NO2S
Molecular Weight773.96 g/mol
Exact Mass773.24
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H35NO2S/c1-4-14-38(15-5-1)55(39-16-6-2-7-17-39)46-22-12-10-21-45(46)53-47(55)31-33-49-54(53)58-48-32-29-42(35-50(48)57-49)56(40-18-8-3-9-19-40)41-27-24-36(25-28-41)37-26-30-44-43-20-11-13-23-51(43)59-52(44)34-37/h1-35H
InChIKeyXAYUSZGDSXHECT-UHFFFAOYSA-N
XLogP15.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.96
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
CID 163740360
N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
CID 167389015
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138576130
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-[4-[4-(9,9-diphenyl-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 129124191
N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
CID 138581380
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167177645
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine (CID 138582115) is N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
The InChIKey is XAYUSZGDSXHECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2S/c1-4-14-38(15-5-1)55(39-16-6-2-7-17-39)46-22-12-10-21-45(46)53-47(55)31-33-49-54(53)58-48-32-29-42(35-50(48)57-49)56(40-18-8-3-9-19-40)41-27-24-36(25-28-41)37-26-30-44-43-20-11-13-23-51(43)59-52(44)34-37/h1-35H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine has a molecular weight of 773.96 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine is sourced from PubChem (CID 138582115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).