N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine

C49H31NO2S — CID 138581708

IUPACN-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31NO2S/c1-4-14-32(15-5-1)49(33-16-6-2-7-17-33)40-22-12-10-21-38(40)47-41(49)26-28-43-48(47)52-42-27-24-36(31-44(42)51-43)50(34-18-8-3-9-19-34)35-25-29-46-39(30-35)37-20-11-13-23-45(37)53-46/h1-31H
InChIKeyWYWXKWIPAWQUIE-UHFFFAOYSA-N
MW697.86 g/mol
LogP13.79
Rot. Bonds5

About N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine

N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine (PubChem CID 138581708) has the molecular formula C49H31NO2S and a molecular weight of 697.86 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
PubChem CID138581708
Molecular FormulaC49H31NO2S
Molecular Weight697.86 g/mol
Exact Mass697.21
IUPAC NameN-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C49H31NO2S/c1-4-14-32(15-5-1)49(33-16-6-2-7-17-33)40-22-12-10-21-38(40)47-41(49)26-28-43-48(47)52-42-27-24-36(31-44(42)51-43)50(34-18-8-3-9-19-34)35-25-29-46-39(30-35)37-20-11-13-23-45(37)53-46/h1-31H
InChIKeyWYWXKWIPAWQUIE-UHFFFAOYSA-N
XLogP13.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.86
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138582115
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
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
CID 138581380
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
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-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
2-[4-(8-dibenzothiophen-4-ylindeno[1,2-a]oxanthren-8-yl)phenyl]-N,N-diphenylaniline
CID 166005526

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine (CID 138581708) is N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine is c1ccc(N(c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
The InChIKey is WYWXKWIPAWQUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2S/c1-4-14-32(15-5-1)49(33-16-6-2-7-17-33)40-22-12-10-21-38(40)47-41(49)26-28-43-48(47)52-42-27-24-36(31-44(42)51-43)50(34-18-8-3-9-19-34)35-25-29-46-39(30-35)37-20-11-13-23-45(37)53-46/h1-31H.
What are the key properties of N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine?
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine has a molecular weight of 697.86 g/mol, XLogP of 13.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine is sourced from PubChem (CID 138581708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).