N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine

C32H30N2O3 — CID 132990935

IUPACN-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
SMILESCOc1c(OC)c(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1/C=N/c1cccc(C)c1C
InChIInChI=1S/C32H30N2O3/c1-20-13-12-18-25(21(20)2)33-19-24-29-27(31(36-4)32(37-5)30(24)35-3)26(22-14-8-6-9-15-22)28(34-29)23-16-10-7-11-17-23/h6-19,34H,1-5H3/b33-19+
InChIKeyGMUQONZNZXUIHF-HNSNBQBZSA-N
MW490.60 g/mol
LogP7.90
Rot. Bonds7

About N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine

N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine (PubChem CID 132990935) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
PubChem CID132990935
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC NameN-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
SMILESCOc1c(OC)c(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1/C=N/c1cccc(C)c1C
InChIInChI=1S/C32H30N2O3/c1-20-13-12-18-25(21(20)2)33-19-24-29-27(31(36-4)32(37-5)30(24)35-3)26(22-14-8-6-9-15-22)28(34-29)23-16-10-7-11-17-23/h6-19,34H,1-5H3/b33-19+
InChIKeyGMUQONZNZXUIHF-HNSNBQBZSA-N
XLogP7.90
TPSA55.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
CID 132990983
N-(2,3-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
CID 126214700
2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole
CID 100982702
[2-[(2,3-dimethylphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126218820
N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137107411
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 92527174
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
N-(2,3-dimethylphenyl)propan-1-imine
CID 139886218

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine (CID 132990935) is N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine is COc1c(OC)c(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1/C=N/c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
The InChIKey is GMUQONZNZXUIHF-HNSNBQBZSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-20-13-12-18-25(21(20)2)33-19-24-29-27(31(36-4)32(37-5)30(24)35-3)26(22-14-8-6-9-15-22)28(34-29)23-16-10-7-11-17-23/h6-19,34H,1-5H3/b33-19+.
What are the key properties of N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine has a molecular weight of 490.60 g/mol, XLogP of 7.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine is sourced from PubChem (CID 132990935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).