2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline

C34H26N2O2 — CID 151765507

IUPAC2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(-c2cc3cccccc-3c2-c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C34H26N2O2/c35-30-10-4-6-12-32(30)37-26-18-14-23(15-19-26)29-22-25-8-2-1-3-9-28(25)34(29)24-16-20-27(21-17-24)38-33-13-7-5-11-31(33)36/h1-22H,35-36H2
InChIKeyRRMIKJCPKIOXJD-UHFFFAOYSA-N
MW494.59 g/mol
LogP8.87
Rot. Bonds6

About 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline

2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline (PubChem CID 151765507) has the molecular formula C34H26N2O2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline.

Molecular Properties

Compound Name2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline
PubChem CID151765507
Molecular FormulaC34H26N2O2
Molecular Weight494.59 g/mol
Exact Mass494.20
IUPAC Name2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(-c2cc3cccccc-3c2-c2ccc(Oc3ccccc3N)cc2)cc1
InChIInChI=1S/C34H26N2O2/c35-30-10-4-6-12-32(30)37-26-18-14-23(15-19-26)29-22-25-8-2-1-3-9-28(25)34(29)24-16-20-27(21-17-24)38-33-13-7-5-11-31(33)36/h1-22H,35-36H2
InChIKeyRRMIKJCPKIOXJD-UHFFFAOYSA-N
XLogP8.87
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
CID 176653688
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
2-[4-(4-ethylphenyl)phenoxy]aniline
CID 170400080
3,4,5-triphenylaniline
CID 123249258
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
2-phenoxy-3-phenylaniline
CID 68786698
2-(4-tert-butylphenoxy)aniline
CID 26189124

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline?
The IUPAC name of 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline (CID 151765507) is 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline.
What is the SMILES notation for 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline?
The canonical SMILES for 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline is Nc1ccccc1Oc1ccc(-c2cc3cccccc-3c2-c2ccc(Oc3ccccc3N)cc2)cc1.
What is the InChIKey of 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline?
The InChIKey is RRMIKJCPKIOXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O2/c35-30-10-4-6-12-32(30)37-26-18-14-23(15-19-26)29-22-25-8-2-1-3-9-28(25)34(29)24-16-20-27(21-17-24)38-33-13-7-5-11-31(33)36/h1-22H,35-36H2.
What are the key properties of 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline?
2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline has a molecular weight of 494.59 g/mol, XLogP of 8.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(2-aminophenoxy)phenyl]azulen-2-yl]phenoxy]aniline is sourced from PubChem (CID 151765507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).