N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine

C28H20N4 — CID 135686999

IUPACN-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
SMILESC(=N/c1ccccc1)\c1c[nH]c2c1ccc1c2ccc2c(/C=N/c3ccccc3)c[nH]c21
InChIInChI=1S/C28H20N4/c1-3-7-21(8-4-1)29-15-19-17-31-27-23(19)11-13-26-25(27)14-12-24-20(18-32-28(24)26)16-30-22-9-5-2-6-10-22/h1-18,31-32H/b29-15+,30-16+
InChIKeyCXAGRWBWTBXUIK-CMNXJCJSSA-N
MW412.50 g/mol
LogP7.30
Rot. Bonds4

About N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine

N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine (PubChem CID 135686999) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
PubChem CID135686999
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC NameN-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
SMILESC(=N/c1ccccc1)\c1c[nH]c2c1ccc1c2ccc2c(/C=N/c3ccccc3)c[nH]c21
InChIInChI=1S/C28H20N4/c1-3-7-21(8-4-1)29-15-19-17-31-27-23(19)11-13-26-25(27)14-12-24-20(18-32-28(24)26)16-30-22-9-5-2-6-10-22/h1-18,31-32H/b29-15+,30-16+
InChIKeyCXAGRWBWTBXUIK-CMNXJCJSSA-N
XLogP7.30
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
N,1-diphenylmethanimine
CID 10858
N-phenyl-1-(1H-pyrrol-2-yl)methanimine
CID 139135949
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
N-phenyl-1-(1H-pyrrol-3-yl)methanimine
CID 174973456
1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
1-(2-ethylphenyl)-N-phenylmethanimine
CID 23340918
2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
CID 139080072
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine?
The IUPAC name of N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine (CID 135686999) is N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine.
What is the SMILES notation for N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine?
The canonical SMILES for N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine is C(=N/c1ccccc1)\c1c[nH]c2c1ccc1c2ccc2c(/C=N/c3ccccc3)c[nH]c21.
What is the InChIKey of N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine?
The InChIKey is CXAGRWBWTBXUIK-CMNXJCJSSA-N. The full InChI is InChI=1S/C28H20N4/c1-3-7-21(8-4-1)29-15-19-17-31-27-23(19)11-13-26-25(27)14-12-24-20(18-32-28(24)26)16-30-22-9-5-2-6-10-22/h1-18,31-32H/b29-15+,30-16+.
What are the key properties of N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine?
N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine has a molecular weight of 412.50 g/mol, XLogP of 7.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine is sourced from PubChem (CID 135686999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).