N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine

C38H29ClN2 — CID 102459468

IUPACN-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine
SMILESClc1cc(C(c2ccccc2)c2ccccc2)c(/N=C/c2ccccn2)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H29ClN2/c39-32-25-34(36(28-15-5-1-6-16-28)29-17-7-2-8-18-29)38(41-27-33-23-13-14-24-40-33)35(26-32)37(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-27,36-37H/b41-27+
InChIKeyRULPLFGHTKXNFW-GLNSOGGISA-N
MW549.12 g/mol
LogP9.85
Rot. Bonds8

About N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine

N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine (PubChem CID 102459468) has the molecular formula C38H29ClN2 and a molecular weight of 549.12 g/mol. Its IUPAC name is N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine
PubChem CID102459468
Molecular FormulaC38H29ClN2
Molecular Weight549.12 g/mol
Exact Mass548.20
IUPAC NameN-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine
SMILESClc1cc(C(c2ccccc2)c2ccccc2)c(/N=C/c2ccccn2)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H29ClN2/c39-32-25-34(36(28-15-5-1-6-16-28)29-17-7-2-8-18-29)38(41-27-33-23-13-14-24-40-33)35(26-32)37(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-27,36-37H/b41-27+
InChIKeyRULPLFGHTKXNFW-GLNSOGGISA-N
XLogP9.85
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.12
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(3-(1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethyl)phenyl)-6-isopropylquinoline
CID 10183196
795316-16-4 (Bromide)
CID 11366263
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
2-(1-Benzylpiperidin-4-ylidene)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155523802
13-Chloro-2-[1-(cyclohexylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155556183
4-[(E)-2-(2-chlorophenyl)ethenyl]quinoline
CID 5351666
N-[(3-chlorophenyl)-diphenylmethyl]pyridin-3-amine
CID 45488486
N'-[3-[3-[3-[[amino(pyridin-2-yl)methylidene]amino]phenyl]-5-chlorophenyl]phenyl]pyridine-2-carboximidamide;trihydrochloride
CID 90664492
9-[[1-[(3-Chlorophenyl)methyl]pyridin-1-ium-3-yl]methyl]-1,2,3,4-tetrahydrocarbazole chloride
CID 145958653
9-[[1-[(3-Chlorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-1,2,3,4-tetrahydrocarbazole bromide
CID 145959185
9-[[1-[(3-Chlorophenyl)methyl]pyridin-1-ium-4-yl]methyl]carbazole bromide
CID 145983988

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine (CID 102459468) is N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine is Clc1cc(C(c2ccccc2)c2ccccc2)c(/N=C/c2ccccn2)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine?
The InChIKey is RULPLFGHTKXNFW-GLNSOGGISA-N. The full InChI is InChI=1S/C38H29ClN2/c39-32-25-34(36(28-15-5-1-6-16-28)29-17-7-2-8-18-29)38(41-27-33-23-13-14-24-40-33)35(26-32)37(30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-27,36-37H/b41-27+.
What are the key properties of N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine?
N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine has a molecular weight of 549.12 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibenzhydryl-4-chlorophenyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 102459468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).