N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline

C41H33N5O — CID 74016610

IUPACN-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)c1cc(C=NN(c3ccccc3)c3ccccc3)ccc1n2CC1CO1
InChIInChI=1S/C41H33N5O/c1-5-13-33(14-6-1)45(34-15-7-2-8-16-34)42-27-31-21-23-40-38(25-31)39-26-32(22-24-41(39)44(40)29-37-30-47-37)28-43-46(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28,37H,29-30H2
InChIKeyYZNYTXGENMEVBA-UHFFFAOYSA-N
MW611.75 g/mol
LogP9.54
Rot. Bonds10

About N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline

N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline (PubChem CID 74016610) has the molecular formula C41H33N5O and a molecular weight of 611.75 g/mol. Its IUPAC name is N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
PubChem CID74016610
Molecular FormulaC41H33N5O
Molecular Weight611.75 g/mol
Exact Mass611.27
IUPAC NameN-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
SMILESC(=NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)c1cc(C=NN(c3ccccc3)c3ccccc3)ccc1n2CC1CO1
InChIInChI=1S/C41H33N5O/c1-5-13-33(14-6-1)45(34-15-7-2-8-16-34)42-27-31-21-23-40-38(25-31)39-26-32(22-24-41(39)44(40)29-37-30-47-37)28-43-46(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28,37H,29-30H2
InChIKeyYZNYTXGENMEVBA-UHFFFAOYSA-N
XLogP9.54
TPSA48.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline?
The IUPAC name of N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline (CID 74016610) is N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline is C(=NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)c1cc(C=NN(c3ccccc3)c3ccccc3)ccc1n2CC1CO1.
What is the InChIKey of N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline?
The InChIKey is YZNYTXGENMEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N5O/c1-5-13-33(14-6-1)45(34-15-7-2-8-16-34)42-27-31-21-23-40-38(25-31)39-26-32(22-24-41(39)44(40)29-37-30-47-37)28-43-46(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-28,37H,29-30H2.
What are the key properties of N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline?
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline has a molecular weight of 611.75 g/mol, XLogP of 9.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline is sourced from PubChem (CID 74016610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).