5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol

C31H35N3O — CID 10600257

IUPAC5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol
SMILESCC1=C(c2ccccc2)/C(=N/c2c(C)cccc2C)N(C(C)C)C1(O)/C=N/c1c(C)cccc1C
InChIInChI=1S/C31H35N3O/c1-20(2)34-30(33-29-23(5)15-12-16-24(29)6)27(26-17-9-8-10-18-26)25(7)31(34,35)19-32-28-21(3)13-11-14-22(28)4/h8-20,35H,1-7H3/b32-19+,33-30-
InChIKeyOOLALDWSVDHAAW-KDCLVDCOSA-N
MW465.64 g/mol
LogP7.24
Rot. Bonds5

About 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol

5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol (PubChem CID 10600257) has the molecular formula C31H35N3O and a molecular weight of 465.64 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol
PubChem CID10600257
Molecular FormulaC31H35N3O
Molecular Weight465.64 g/mol
Exact Mass465.28
IUPAC Name5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol
SMILESCC1=C(c2ccccc2)/C(=N/c2c(C)cccc2C)N(C(C)C)C1(O)/C=N/c1c(C)cccc1C
InChIInChI=1S/C31H35N3O/c1-20(2)34-30(33-29-23(5)15-12-16-24(29)6)27(26-17-9-8-10-18-26)25(7)31(34,35)19-32-28-21(3)13-11-14-22(28)4/h8-20,35H,1-7H3/b32-19+,33-30-
InChIKeyOOLALDWSVDHAAW-KDCLVDCOSA-N
XLogP7.24
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 57.24
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

1-[(2,6-dimethylphenyl)iminomethyl]cyclohexan-1-ol
CID 10466452
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
N-(2,6-dimethylphenyl)ethanimine
CID 10993945
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
CID 87959854
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
CID 158655224
N,N'-bis(2,6-dimethylphenyl)ethane-1,2-diimine;carbanide;nickel
CID 59881388
2-chloro-N-(2,6-dimethylphenyl)ethanimine
CID 101094271
acetylene;N-(2,6-dimethylphenyl)ethanimine
CID 142169551
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-benzodithiine-2,3-diimine
CID 22638444
9-(2-methylphenyl)-4-phenylfluoren-9-ol
CID 123855078
[2-methyl-6-(2-methylphenyl)phenyl]-(2-phenylphenyl)methanol
CID 126606900
propan-2-ol;toluene;1,2-xylene
CID 175542650

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol?
The IUPAC name of 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol (CID 10600257) is 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol.
What is the SMILES notation for 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol?
The canonical SMILES for 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol is CC1=C(c2ccccc2)/C(=N/c2c(C)cccc2C)N(C(C)C)C1(O)/C=N/c1c(C)cccc1C.
What is the InChIKey of 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol?
The InChIKey is OOLALDWSVDHAAW-KDCLVDCOSA-N. The full InChI is InChI=1S/C31H35N3O/c1-20(2)34-30(33-29-23(5)15-12-16-24(29)6)27(26-17-9-8-10-18-26)25(7)31(34,35)19-32-28-21(3)13-11-14-22(28)4/h8-20,35H,1-7H3/b32-19+,33-30-.
What are the key properties of 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol?
5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol has a molecular weight of 465.64 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)imino-2-[(2,6-dimethylphenyl)iminomethyl]-3-methyl-4-phenyl-1-propan-2-ylpyrrol-2-ol is sourced from PubChem (CID 10600257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).