N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine

C46H42N2 — CID 11444975

IUPACN-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine
SMILESCc1cc(C)c(/C(N=C(c2ccccc2)c2ccccc2)=C(/N=C(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C46H42N2/c1-31-27-33(3)41(34(4)28-31)45(47-43(37-19-11-7-12-20-37)38-21-13-8-14-22-38)46(42-35(5)29-32(2)30-36(42)6)48-44(39-23-15-9-16-24-39)40-25-17-10-18-26-40/h7-30H,1-6H3/b46-45-
InChIKeyYKGBUYJWEXBVAN-KZXRXFMCSA-N
MW622.86 g/mol
LogP11.44
Rot. Bonds8

About N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine

N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine (PubChem CID 11444975) has the molecular formula C46H42N2 and a molecular weight of 622.86 g/mol. Its IUPAC name is N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine
PubChem CID11444975
Molecular FormulaC46H42N2
Molecular Weight622.86 g/mol
Exact Mass622.33
IUPAC NameN-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine
SMILESCc1cc(C)c(/C(N=C(c2ccccc2)c2ccccc2)=C(/N=C(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C46H42N2/c1-31-27-33(3)41(34(4)28-31)45(47-43(37-19-11-7-12-20-37)38-21-13-8-14-22-38)46(42-35(5)29-32(2)30-36(42)6)48-44(39-23-15-9-16-24-39)40-25-17-10-18-26-40/h7-30H,1-6H3/b46-45-
InChIKeyYKGBUYJWEXBVAN-KZXRXFMCSA-N
XLogP11.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.86
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine (CID 11444975) is N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine is Cc1cc(C)c(/C(N=C(c2ccccc2)c2ccccc2)=C(/N=C(c2ccccc2)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine?
The InChIKey is YKGBUYJWEXBVAN-KZXRXFMCSA-N. The full InChI is InChI=1S/C46H42N2/c1-31-27-33(3)41(34(4)28-31)45(47-43(37-19-11-7-12-20-37)38-21-13-8-14-22-38)46(42-35(5)29-32(2)30-36(42)6)48-44(39-23-15-9-16-24-39)40-25-17-10-18-26-40/h7-30H,1-6H3/b46-45-.
What are the key properties of N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine?
N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine has a molecular weight of 622.86 g/mol, XLogP of 11.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 11444975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).