N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine

C40H28N2OS — CID 172504439

IUPACN-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc2-c2cc3nc(-c4ccccc4)oc3cc21
InChIInChI=1S/C40H28N2OS/c1-40(2)33-19-17-27(21-30(33)31-23-35-36(24-34(31)40)43-39(41-35)25-11-5-3-6-12-25)42(26-13-7-4-8-14-26)28-18-20-38-32(22-28)29-15-9-10-16-37(29)44-38/h3-24H,1-2H3
InChIKeyNOYFSXZLMGDFJP-UHFFFAOYSA-N
MW584.74 g/mol
LogP11.64
Rot. Bonds4

About N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine

N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine (PubChem CID 172504439) has the molecular formula C40H28N2OS and a molecular weight of 584.74 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine
PubChem CID172504439
Molecular FormulaC40H28N2OS
Molecular Weight584.74 g/mol
Exact Mass584.19
IUPAC NameN-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc2-c2cc3nc(-c4ccccc4)oc3cc21
InChIInChI=1S/C40H28N2OS/c1-40(2)33-19-17-27(21-30(33)31-23-35-36(24-34(31)40)43-39(41-35)25-11-5-3-6-12-25)42(26-13-7-4-8-14-26)28-18-20-38-32(22-28)29-15-9-10-16-37(29)44-38/h3-24H,1-2H3
InChIKeyNOYFSXZLMGDFJP-UHFFFAOYSA-N
XLogP11.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.74
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine with MolForge

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Related Compounds

3-N-(9,9-dimethyl-2-phenylindeno[1,2-f][1,3]benzoxazol-6-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 172504447
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127
N-(9,9-dimethylfluoren-3-yl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzothiophen-3-amine
CID 167129229
3-N-dibenzofuran-2-yl-3-N-[4-(9,9-dimethylindeno[1,2-f][1,3]benzoxazol-2-yl)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 172504242
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171456520
9,9-dimethyl-N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)indeno[2,1-f][1,3]benzoxazol-6-amine
CID 172504267
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-3-amine
CID 167128906
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)phenyl]dibenzothiophen-2-amine
CID 167127556
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-2-phenyl-1,3-benzoxazol-5-amine
CID 168731397
N-(9,9-dimethylfluoren-3-yl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128802
7-N-[8-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-(4-phenylphenyl)-7-N-[8-(N-(4-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzothiophene-2,7-diamine
CID 157158501

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine (CID 172504439) is N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine is CC1(C)c2ccc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cc2-c2cc3nc(-c4ccccc4)oc3cc21.
What is the InChIKey of N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine?
The InChIKey is NOYFSXZLMGDFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2OS/c1-40(2)33-19-17-27(21-30(33)31-23-35-36(24-34(31)40)43-39(41-35)25-11-5-3-6-12-25)42(26-13-7-4-8-14-26)28-18-20-38-32(22-28)29-15-9-10-16-37(29)44-38/h3-24H,1-2H3.
What are the key properties of N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine?
N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine has a molecular weight of 584.74 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9,9-dimethyl-N,2-diphenylindeno[1,2-f][1,3]benzoxazol-6-amine is sourced from PubChem (CID 172504439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).