N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine

C27H23NO — CID 11440319

IUPACN-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
SMILESCOc1ccc(N=C2C(c3ccccc3)=C3CCCC3=C2c2ccccc2)cc1
InChIInChI=1S/C27H23NO/c1-29-22-17-15-21(16-18-22)28-27-25(19-9-4-2-5-10-19)23-13-8-14-24(23)26(27)20-11-6-3-7-12-20/h2-7,9-12,15-18H,8,13-14H2,1H3
InChIKeyOAANBUDGOAGCFC-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.87
Rot. Bonds4

About N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine

N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine (PubChem CID 11440319) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
PubChem CID11440319
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC NameN-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
SMILESCOc1ccc(N=C2C(c3ccccc3)=C3CCCC3=C2c2ccccc2)cc1
InChIInChI=1S/C27H23NO/c1-29-22-17-15-21(16-18-22)28-27-25(19-9-4-2-5-10-19)23-13-8-14-24(23)26(27)20-11-6-3-7-12-20/h2-7,9-12,15-18H,8,13-14H2,1H3
InChIKeyOAANBUDGOAGCFC-UHFFFAOYSA-N
XLogP6.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
5-(4-methoxyphenyl)-4,7-diphenyl-2,3-dihydro-1H-indene
CID 53473730
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine
CID 152760508
N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
anisole;1,1'-biphenyl;naphthalene
CID 161250692

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine (CID 11440319) is N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine is COc1ccc(N=C2C(c3ccccc3)=C3CCCC3=C2c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine?
The InChIKey is OAANBUDGOAGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-29-22-17-15-21(16-18-22)28-27-25(19-9-4-2-5-10-19)23-13-8-14-24(23)26(27)20-11-6-3-7-12-20/h2-7,9-12,15-18H,8,13-14H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine?
N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine has a molecular weight of 377.49 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine is sourced from PubChem (CID 11440319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).