3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine

C31H34N4O2 — CID 71678250

IUPAC3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine
SMILESNCCCn1c2cc(-c3cccc(OCCN)c3)ccc2c2ccc(-c3cccc(OCCN)c3)cc21
InChIInChI=1S/C31H34N4O2/c32-12-3-15-35-30-20-24(22-4-1-6-26(18-22)36-16-13-33)8-10-28(30)29-11-9-25(21-31(29)35)23-5-2-7-27(19-23)37-17-14-34/h1-2,4-11,18-21H,3,12-17,32-34H2
InChIKeyJYTDDUHSWRAFHV-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.15
Rot. Bonds11

About 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine

3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine (PubChem CID 71678250) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine
PubChem CID71678250
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine
SMILESNCCCn1c2cc(-c3cccc(OCCN)c3)ccc2c2ccc(-c3cccc(OCCN)c3)cc21
InChIInChI=1S/C31H34N4O2/c32-12-3-15-35-30-20-24(22-4-1-6-26(18-22)36-16-13-33)8-10-28(30)29-11-9-25(21-31(29)35)23-5-2-7-27(19-23)37-17-14-34/h1-2,4-11,18-21H,3,12-17,32-34H2
InChIKeyJYTDDUHSWRAFHV-UHFFFAOYSA-N
XLogP5.15
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine?
The IUPAC name of 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine (CID 71678250) is 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine.
What is the SMILES notation for 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine?
The canonical SMILES for 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine is NCCCn1c2cc(-c3cccc(OCCN)c3)ccc2c2ccc(-c3cccc(OCCN)c3)cc21.
What is the InChIKey of 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine?
The InChIKey is JYTDDUHSWRAFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c32-12-3-15-35-30-20-24(22-4-1-6-26(18-22)36-16-13-33)8-10-28(30)29-11-9-25(21-31(29)35)23-5-2-7-27(19-23)37-17-14-34/h1-2,4-11,18-21H,3,12-17,32-34H2.
What are the key properties of 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine?
3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine has a molecular weight of 494.64 g/mol, XLogP of 5.15, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,7-bis[3-(2-aminoethoxy)phenyl]carbazol-9-yl]propan-1-amine is sourced from PubChem (CID 71678250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).