25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine

C32H34N2O4 — CID 10625532

IUPAC25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine
SMILESCOc1c2cccc1Cc1cc(N)cc(c1OC)Cc1cccc(c1OC)Cc1cc(N)cc(c1OC)C2
InChIInChI=1S/C32H34N2O4/c1-35-29-19-7-5-8-20(29)12-24-16-28(34)18-26(32(24)38-4)14-22-10-6-9-21(30(22)36-2)13-25-17-27(33)15-23(11-19)31(25)37-3/h5-10,15-18H,11-14,33-34H2,1-4H3
InChIKeyMWXPGSFEWQZGMY-UHFFFAOYSA-N
MW510.63 g/mol
LogP5.56
Rot. Bonds4

About 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine

25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine (PubChem CID 10625532) has the molecular formula C32H34N2O4 and a molecular weight of 510.63 g/mol. Its IUPAC name is 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine.

Molecular Properties

Compound Name25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine
PubChem CID10625532
Molecular FormulaC32H34N2O4
Molecular Weight510.63 g/mol
Exact Mass510.25
IUPAC Name25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine
SMILESCOc1c2cccc1Cc1cc(N)cc(c1OC)Cc1cccc(c1OC)Cc1cc(N)cc(c1OC)C2
InChIInChI=1S/C32H34N2O4/c1-35-29-19-7-5-8-20(29)12-24-16-28(34)18-26(32(24)38-4)14-22-10-6-9-21(30(22)36-2)13-25-17-27(33)15-23(11-19)31(25)37-3/h5-10,15-18H,11-14,33-34H2,1-4H3
InChIKeyMWXPGSFEWQZGMY-UHFFFAOYSA-N
XLogP5.56
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine?
The IUPAC name of 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine (CID 10625532) is 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine.
What is the SMILES notation for 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine?
The canonical SMILES for 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine is COc1c2cccc1Cc1cc(N)cc(c1OC)Cc1cccc(c1OC)Cc1cc(N)cc(c1OC)C2.
What is the InChIKey of 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine?
The InChIKey is MWXPGSFEWQZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O4/c1-35-29-19-7-5-8-20(29)12-24-16-28(34)18-26(32(24)38-4)14-22-10-6-9-21(30(22)36-2)13-25-17-27(33)15-23(11-19)31(25)37-3/h5-10,15-18H,11-14,33-34H2,1-4H3.
What are the key properties of 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine?
25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine has a molecular weight of 510.63 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-diamine is sourced from PubChem (CID 10625532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).