N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine

C37H41N — CID 15721081

IUPACN-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine
SMILESCc1c(C)c(C)c(C(=C=NC(c2ccccc2)c2ccccc2)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C37H41N/c1-22-24(3)28(7)35(29(8)25(22)4)34(36-30(9)26(5)23(2)27(6)31(36)10)21-38-37(32-17-13-11-14-18-32)33-19-15-12-16-20-33/h11-20,37H,1-10H3
InChIKeyLVJOPJBWCHITGY-UHFFFAOYSA-N
MW499.74 g/mol
LogP9.66
Rot. Bonds5

About N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine

N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine (PubChem CID 15721081) has the molecular formula C37H41N and a molecular weight of 499.74 g/mol. Its IUPAC name is N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine.

Molecular Properties

Compound NameN-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine
PubChem CID15721081
Molecular FormulaC37H41N
Molecular Weight499.74 g/mol
Exact Mass499.32
IUPAC NameN-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine
SMILESCc1c(C)c(C)c(C(=C=NC(c2ccccc2)c2ccccc2)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C37H41N/c1-22-24(3)28(7)35(29(8)25(22)4)34(36-30(9)26(5)23(2)27(6)31(36)10)21-38-37(32-17-13-11-14-18-32)33-19-15-12-16-20-33/h11-20,37H,1-10H3
InChIKeyLVJOPJBWCHITGY-UHFFFAOYSA-N
XLogP9.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.74
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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US11485708, Compd ID 1.018
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CID 85614111
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CID 86185793
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CID 134904792
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CID 85614091

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine?
The IUPAC name of N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine (CID 15721081) is N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine.
What is the SMILES notation for N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine?
The canonical SMILES for N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine is Cc1c(C)c(C)c(C(=C=NC(c2ccccc2)c2ccccc2)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine?
The InChIKey is LVJOPJBWCHITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N/c1-22-24(3)28(7)35(29(8)25(22)4)34(36-30(9)26(5)23(2)27(6)31(36)10)21-38-37(32-17-13-11-14-18-32)33-19-15-12-16-20-33/h11-20,37H,1-10H3.
What are the key properties of N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine?
N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine has a molecular weight of 499.74 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine is sourced from PubChem (CID 15721081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).