N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine

C29H23ClN2O2 — CID 132990983

IUPACN-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
SMILESCOc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C29H23ClN2O2/c1-33-24-17-25(34-2)27-26(19-10-5-3-6-11-19)28(20-12-7-4-8-13-20)32-29(27)23(24)18-31-22-15-9-14-21(30)16-22/h3-18,32H,1-2H3/b31-18+
InChIKeyNOFUDJRQECNVKL-FDAWAROLSA-N
MW466.97 g/mol
LogP7.92
Rot. Bonds6

About N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine

N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine (PubChem CID 132990983) has the molecular formula C29H23ClN2O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
PubChem CID132990983
Molecular FormulaC29H23ClN2O2
Molecular Weight466.97 g/mol
Exact Mass466.14
IUPAC NameN-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
SMILESCOc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C29H23ClN2O2/c1-33-24-17-25(34-2)27-26(19-10-5-3-6-11-19)28(20-12-7-4-8-13-20)32-29(27)23(24)18-31-22-15-9-14-21(30)16-22/h3-18,32H,1-2H3/b31-18+
InChIKeyNOFUDJRQECNVKL-FDAWAROLSA-N
XLogP7.92
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-1-(4,5,6-trimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
CID 132990935
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 137029716
4-chloro-2-phenyl-5,7-bis(phenyliminomethyl)-1H-indol-3-ol
CID 46197105
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
CID 139227482
(2R)-2-[4-[(3-chlorophenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126017797
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(3-chlorophenyl)methanimine
CID 126391506
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844628
4-[(3-chlorophenyl)iminomethyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 137126380

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine (CID 132990983) is N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine is COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1/C=N/c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
The InChIKey is NOFUDJRQECNVKL-FDAWAROLSA-N. The full InChI is InChI=1S/C29H23ClN2O2/c1-33-24-17-25(34-2)27-26(19-10-5-3-6-11-19)28(20-12-7-4-8-13-20)32-29(27)23(24)18-31-22-15-9-14-21(30)16-22/h3-18,32H,1-2H3/b31-18+.
What are the key properties of N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine?
N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine has a molecular weight of 466.97 g/mol, XLogP of 7.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine is sourced from PubChem (CID 132990983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).