N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine

C55H35NO2S — CID 163740360

IUPACN-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C55H35NO2S/c1-4-16-36(17-5-1)41-22-11-14-26-47(41)56(39-29-33-52-44(34-39)42-23-12-15-27-51(42)59-52)40-28-31-48-50(35-40)57-49-32-30-46-53(54(49)58-48)43-24-10-13-25-45(43)55(46,37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-35H
InChIKeyLHETVSVHTWVDLV-UHFFFAOYSA-N
MW773.96 g/mol
LogP15.45
Rot. Bonds6

About N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine

N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine (PubChem CID 163740360) has the molecular formula C55H35NO2S and a molecular weight of 773.96 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
PubChem CID163740360
Molecular FormulaC55H35NO2S
Molecular Weight773.96 g/mol
Exact Mass773.24
IUPAC NameN-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C55H35NO2S/c1-4-16-36(17-5-1)41-22-11-14-26-47(41)56(39-29-33-52-44(34-39)42-23-12-15-27-51(42)59-52)40-28-31-48-50(35-40)57-49-32-30-46-53(54(49)58-48)43-24-10-13-25-45(43)55(46,37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-35H
InChIKeyLHETVSVHTWVDLV-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-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
N-(4-phenylphenyl)-N-[4-[8-(4-pyridin-4-ylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]dibenzothiophen-2-amine
CID 167389015
2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526
N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 166663845
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 122675267
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-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 166012362
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine (CID 163740360) is N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine?
The InChIKey is LHETVSVHTWVDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO2S/c1-4-16-36(17-5-1)41-22-11-14-26-47(41)56(39-29-33-52-44(34-39)42-23-12-15-27-51(42)59-52)40-28-31-48-50(35-40)57-49-32-30-46-53(54(49)58-48)43-24-10-13-25-45(43)55(46,37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-35H.
What are the key properties of N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine?
N-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[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-dibenzothiophen-2-yl-8,8-diphenyl-N-(2-phenylphenyl)indeno[1,2-a]oxanthren-3-amine is sourced from PubChem (CID 163740360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).