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

C37H34N2O — CID 154592854

IUPAC2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESCN1C(C)(C)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2C1(C)C
InChIInChI=1S/C37H34N2O/c1-36(2)31-21-20-25(23-32(31)37(3,4)38(36)5)26-22-30-29-18-12-13-19-34(29)40-35(30)33(24-26)39(27-14-8-6-9-15-27)28-16-10-7-11-17-28/h6-24H,1-5H3
InChIKeyOTHVBLHDZJKEPG-UHFFFAOYSA-N
MW522.69 g/mol
LogP10.14
Rot. Bonds4

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

2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine (PubChem CID 154592854) has the molecular formula C37H34N2O and a molecular weight of 522.69 g/mol. Its IUPAC name is 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
PubChem CID154592854
Molecular FormulaC37H34N2O
Molecular Weight522.69 g/mol
Exact Mass522.27
IUPAC Name2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
SMILESCN1C(C)(C)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2C1(C)C
InChIInChI=1S/C37H34N2O/c1-36(2)31-21-20-25(23-32(31)37(3,4)38(36)5)26-22-30-29-18-12-13-19-34(29)40-35(30)33(24-26)39(27-14-8-6-9-15-27)28-16-10-7-11-17-28/h6-24H,1-5H3
InChIKeyOTHVBLHDZJKEPG-UHFFFAOYSA-N
XLogP10.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 149470846
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 148775641
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
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
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
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168
N-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 70808668
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
N-phenyl-N-[4-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]dibenzofuran-4-amine
CID 163587007
N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
CID 171433672

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine (CID 154592854) is 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine is CN1C(C)(C)c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4oc5ccccc5c4c3)cc2C1(C)C.
What is the InChIKey of 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is OTHVBLHDZJKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O/c1-36(2)31-21-20-25(23-32(31)37(3,4)38(36)5)26-22-30-29-18-12-13-19-34(29)40-35(30)33(24-26)39(27-14-8-6-9-15-27)28-16-10-7-11-17-28/h6-24H,1-5H3.
What are the key properties of 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine?
2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 522.69 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 154592854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).