N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine

C39H27NO2 — CID 142560749

IUPACN-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine
SMILESC(=N/Cc1ccccc1)\c1ccc2c(c1)Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2
InChIInChI=1S/C39H27NO2/c1-4-12-27(13-5-1)25-40-26-28-20-22-34-36(24-28)42-38-35(41-34)23-21-33-37(38)31-18-10-11-19-32(31)39(33,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-24,26H,25H2/b40-26+
InChIKeyHCXIVFJGUIFGKG-IHELAITMSA-N
MW541.65 g/mol
LogP9.57
Rot. Bonds5

About N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine

N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine (PubChem CID 142560749) has the molecular formula C39H27NO2 and a molecular weight of 541.65 g/mol. Its IUPAC name is N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine
PubChem CID142560749
Molecular FormulaC39H27NO2
Molecular Weight541.65 g/mol
Exact Mass541.20
IUPAC NameN-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine
SMILESC(=N/Cc1ccccc1)\c1ccc2c(c1)Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2
InChIInChI=1S/C39H27NO2/c1-4-12-27(13-5-1)25-40-26-28-20-22-34-36(24-28)42-38-35(41-34)23-21-33-37(38)31-18-10-11-19-32(31)39(33,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-24,26H,25H2/b40-26+
InChIKeyHCXIVFJGUIFGKG-IHELAITMSA-N
XLogP9.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138581719
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-dibenzothiophen-2-yl-N,8,8-triphenylindeno[1,2-a]oxanthren-3-amine
CID 138581708
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
CID 138575483
5,8,8-triphenylindeno[2,1-c]phenoxazine
CID 118668288
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
CID 138576075
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
3-phenyl-N-(3-phenylphenyl)-N-[3-[8-(3-phenylphenyl)indeno[1,2-a]oxanthren-8-yl]phenyl]aniline
CID 166005546
3-[1-(6,7-dihydrodibenzothiophen-3-yl)-2-phenylethyl]-8,8-diphenylindeno[1,2-a]oxanthrene
CID 142560789

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine?
The IUPAC name of N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine (CID 142560749) is N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine.
What is the SMILES notation for N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine?
The canonical SMILES for N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine is C(=N/Cc1ccccc1)\c1ccc2c(c1)Oc1c(ccc3c1-c1ccccc1C3(c1ccccc1)c1ccccc1)O2.
What is the InChIKey of N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine?
The InChIKey is HCXIVFJGUIFGKG-IHELAITMSA-N. The full InChI is InChI=1S/C39H27NO2/c1-4-12-27(13-5-1)25-40-26-28-20-22-34-36(24-28)42-38-35(41-34)23-21-33-37(38)31-18-10-11-19-32(31)39(33,29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1-24,26H,25H2/b40-26+.
What are the key properties of N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine?
N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine has a molecular weight of 541.65 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)methanimine is sourced from PubChem (CID 142560749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).