N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline

C31H34Cl2N4O4 — CID 4978442

IUPACN-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline
SMILESClc1cc2c(cc1OCCN1CCOCC1)C(=NNc1ccccc1)c1cc(OCCN3CCOCC3)c(Cl)cc1-2
InChIInChI=1S/C31H34Cl2N4O4/c32-27-18-23-24-19-28(33)30(41-17-11-37-8-14-39-15-9-37)21-26(24)31(35-34-22-4-2-1-3-5-22)25(23)20-29(27)40-16-10-36-6-12-38-13-7-36/h1-5,18-21,34H,6-17H2
InChIKeyRERLHHRWYOEJNY-UHFFFAOYSA-N
MW597.54 g/mol
LogP5.26
Rot. Bonds10

About N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline

N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline (PubChem CID 4978442) has the molecular formula C31H34Cl2N4O4 and a molecular weight of 597.54 g/mol. Its IUPAC name is N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline
PubChem CID4978442
Molecular FormulaC31H34Cl2N4O4
Molecular Weight597.54 g/mol
Exact Mass596.20
IUPAC NameN-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline
SMILESClc1cc2c(cc1OCCN1CCOCC1)C(=NNc1ccccc1)c1cc(OCCN3CCOCC3)c(Cl)cc1-2
InChIInChI=1S/C31H34Cl2N4O4/c32-27-18-23-24-19-28(33)30(41-17-11-37-8-14-39-15-9-37)21-26(24)31(35-34-22-4-2-1-3-5-22)25(23)20-29(27)40-16-10-36-6-12-38-13-7-36/h1-5,18-21,34H,6-17H2
InChIKeyRERLHHRWYOEJNY-UHFFFAOYSA-N
XLogP5.26
TPSA67.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169382491
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 46861553
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
N-[[3,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]carbamothioyl]benzamide
CID 118961535

Frequently Asked Questions

What is the IUPAC name of N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline?
The IUPAC name of N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline (CID 4978442) is N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline.
What is the SMILES notation for N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline?
The canonical SMILES for N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline is Clc1cc2c(cc1OCCN1CCOCC1)C(=NNc1ccccc1)c1cc(OCCN3CCOCC3)c(Cl)cc1-2.
What is the InChIKey of N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline?
The InChIKey is RERLHHRWYOEJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N4O4/c32-27-18-23-24-19-28(33)30(41-17-11-37-8-14-39-15-9-37)21-26(24)31(35-34-22-4-2-1-3-5-22)25(23)20-29(27)40-16-10-36-6-12-38-13-7-36/h1-5,18-21,34H,6-17H2.
What are the key properties of N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline?
N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline has a molecular weight of 597.54 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,6-dichloro-2,7-bis(2-morpholin-4-ylethoxy)fluoren-9-ylidene]amino]aniline is sourced from PubChem (CID 4978442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).