[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine

C39H32N2O4 — CID 139970952

IUPAC[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
SMILESNCOc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(OCN)c5)cc4)c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C39H32N2O4/c40-25-42-31-7-5-9-33(23-31)44-29-19-15-27(16-20-29)39(37-13-3-1-11-35(37)36-12-2-4-14-38(36)39)28-17-21-30(22-18-28)45-34-10-6-8-32(24-34)43-26-41/h1-24H,25-26,40-41H2
InChIKeyUSXKSCWFJIZCCJ-UHFFFAOYSA-N
MW592.70 g/mol
LogP8.22
Rot. Bonds10

About [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine

[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine (PubChem CID 139970952) has the molecular formula C39H32N2O4 and a molecular weight of 592.70 g/mol. Its IUPAC name is [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine.

Molecular Properties

Compound Name[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
PubChem CID139970952
Molecular FormulaC39H32N2O4
Molecular Weight592.70 g/mol
Exact Mass592.24
IUPAC Name[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine
SMILESNCOc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(OCN)c5)cc4)c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C39H32N2O4/c40-25-42-31-7-5-9-33(23-31)44-29-19-15-27(16-20-29)39(37-13-3-1-11-35(37)36-12-2-4-14-38(36)39)28-17-21-30(22-18-28)45-34-10-6-8-32(24-34)43-26-41/h1-24H,25-26,40-41H2
InChIKeyUSXKSCWFJIZCCJ-UHFFFAOYSA-N
XLogP8.22
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine with MolForge

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Related Compounds

3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline
CID 162169591
4-[4-[9-[4-(4-cyanophenoxy)phenyl]fluoren-9-yl]phenoxy]benzonitrile
CID 16744152
4-[9-[3-[4-[3-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118667876
9,9-bis[4-(3-chloro-4-isocyanophenoxy)phenyl]fluorene
CID 58769613
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[4-[9-[4-(2-amino-4-methylphenoxy)phenyl]fluoren-9-yl]phenoxy]-5-methylaniline
CID 67411083
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)indeno[1,2-c]pyridin-5-yl]phenoxy]phenyl]indeno[1,2-c]pyridine
CID 153299420
[4-[4-[9-[4-[4-(3-chlorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-(3-chlorophenyl)methanone
CID 58769608

Frequently Asked Questions

What is the IUPAC name of [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine?
The IUPAC name of [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine (CID 139970952) is [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine.
What is the SMILES notation for [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine?
The canonical SMILES for [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine is NCOc1cccc(Oc2ccc(C3(c4ccc(Oc5cccc(OCN)c5)cc4)c4ccccc4-c4ccccc43)cc2)c1.
What is the InChIKey of [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine?
The InChIKey is USXKSCWFJIZCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2O4/c40-25-42-31-7-5-9-33(23-31)44-29-19-15-27(16-20-29)39(37-13-3-1-11-35(37)36-12-2-4-14-38(36)39)28-17-21-30(22-18-28)45-34-10-6-8-32(24-34)43-26-41/h1-24H,25-26,40-41H2.
What are the key properties of [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine?
[3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine has a molecular weight of 592.70 g/mol, XLogP of 8.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[9-[4-[3-(aminomethoxy)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenoxy]methanamine is sourced from PubChem (CID 139970952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).