[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea

C28H41N5O3 — CID 3503046

IUPAC[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
SMILESCCN(CC)CCCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCCCN(CC)CC)ccc1-2
InChIInChI=1S/C28H41N5O3/c1-5-32(6-2)15-9-17-35-21-11-13-23-24-14-12-22(36-18-10-16-33(7-3)8-4)20-26(24)27(25(23)19-21)30-31-28(29)34/h11-14,19-20H,5-10,15-18H2,1-4H3,(H3,29,31,34)
InChIKeyKOVDCHZVNCLFPY-UHFFFAOYSA-N
MW495.67 g/mol
LogP4.31
Rot. Bonds15

About [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea

[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea (PubChem CID 3503046) has the molecular formula C28H41N5O3 and a molecular weight of 495.67 g/mol. Its IUPAC name is [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea.

Molecular Properties

Compound Name[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
PubChem CID3503046
Molecular FormulaC28H41N5O3
Molecular Weight495.67 g/mol
Exact Mass495.32
IUPAC Name[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
SMILESCCN(CC)CCCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCCCN(CC)CC)ccc1-2
InChIInChI=1S/C28H41N5O3/c1-5-32(6-2)15-9-17-35-21-11-13-23-24-14-12-22(36-18-10-16-33(7-3)8-4)20-26(24)27(25(23)19-21)30-31-28(29)34/h11-14,19-20H,5-10,15-18H2,1-4H3,(H3,29,31,34)
InChIKeyKOVDCHZVNCLFPY-UHFFFAOYSA-N
XLogP4.31
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2,7-dipropoxyfluoren-9-ylidene)amino]urea
CID 3467719
[[2,7-bis(3-hydroxypropoxy)fluoren-9-ylidene]amino]urea
CID 3952207
N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride
CID 53346999
3-[8-[3-(diethylamino)propoxy]-5,5-dioxodibenzothiophen-2-yl]oxy-N,N-diethylpropan-1-amine
CID 67163167
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
5-[3-(diethylamino)propoxy]pyridine-2-carboxamide
CID 70024407
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
4-[3-(diethylamino)propoxy]-2-N-ethylbenzene-1,2-diamine
CID 22014734
[4-[3-[7-[2-(diethylamino)ethoxy]-9-oxofluoren-2-yl]oxypropyl-hydroxyamino]-2,4-dioxobutyl]-methylphosphinic acid
CID 142080822

Frequently Asked Questions

What is the IUPAC name of [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea?
The IUPAC name of [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea (CID 3503046) is [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea.
What is the SMILES notation for [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea?
The canonical SMILES for [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea is CCN(CC)CCCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCCCN(CC)CC)ccc1-2.
What is the InChIKey of [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea?
The InChIKey is KOVDCHZVNCLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O3/c1-5-32(6-2)15-9-17-35-21-11-13-23-24-14-12-22(36-18-10-16-33(7-3)8-4)20-26(24)27(25(23)19-21)30-31-28(29)34/h11-14,19-20H,5-10,15-18H2,1-4H3,(H3,29,31,34).
What are the key properties of [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea?
[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea has a molecular weight of 495.67 g/mol, XLogP of 4.31, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea is sourced from PubChem (CID 3503046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).