N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline

C27H19N3 — CID 59922674

IUPACN-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
SMILESC#Cn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C27H19N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h1,3-20H
InChIKeySMWNQLZMQZNOBO-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.41
Rot. Bonds4

About N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline

N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline (PubChem CID 59922674) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
PubChem CID59922674
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC NameN-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
SMILESC#Cn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C27H19N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h1,3-20H
InChIKeySMWNQLZMQZNOBO-UHFFFAOYSA-N
XLogP6.41
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 22900228
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
CID 6050776
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline (CID 59922674) is N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline is C#Cn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
The InChIKey is SMWNQLZMQZNOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h1,3-20H.
What are the key properties of N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline?
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline has a molecular weight of 385.47 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 59922674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).