2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine

C33H25NO3 — CID 148775641

IUPAC2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESCC1(C)Oc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2O1
InChIInChI=1S/C33H25NO3/c1-33(2)36-30-18-17-22(21-31(30)37-33)23-19-27-26-15-9-10-16-29(26)35-32(27)28(20-23)34(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-21H,1-2H3
InChIKeyOJHINMBXPRGDNI-UHFFFAOYSA-N
MW483.57 g/mol
LogP9.23
Rot. Bonds4

About 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine

2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 148775641) has the molecular formula C33H25NO3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID148775641
Molecular FormulaC33H25NO3
Molecular Weight483.57 g/mol
Exact Mass483.18
IUPAC Name2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESCC1(C)Oc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2O1
InChIInChI=1S/C33H25NO3/c1-33(2)36-30-18-17-22(21-31(30)37-33)23-19-27-26-15-9-10-16-29(26)35-32(27)28(20-23)34(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-21H,1-2H3
InChIKeyOJHINMBXPRGDNI-UHFFFAOYSA-N
XLogP9.23
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 149470846
2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 154592854
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536283
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
2,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441915
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine
CID 154593004
10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441869
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine (CID 148775641) is 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine is CC1(C)Oc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is OJHINMBXPRGDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO3/c1-33(2)36-30-18-17-22(21-31(30)37-33)23-19-27-26-15-9-10-16-29(26)35-32(27)28(20-23)34(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-21H,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 483.57 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 148775641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).