5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone

C30H15N5O5 — CID 25191093

IUPAC5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone
SMILESO=C1Cc2c3c4c(c5c6c(c7c8c(c9c%10c(c(c2c2c4c6c8c%102)N1)CC(=O)N9)CC(=O)N7)CC(=O)N5)CC(=O)N3
InChIInChI=1S/C30H15N5O5/c36-11-1-6-16-21-22-17-7(2-12(37)32-26(6)17)28-19-9(4-14(39)33-28)30-20-10(5-15(40)35-30)29-18(23(21)25(20)24(19)22)8(27(16)31-11)3-13(38)34-29/h1-5H2,(H,31,36)(H,32,37)(H,33,39)(H,34,38)(H,35,40)
InChIKeySVPZJAPITCWKSX-UHFFFAOYSA-N
MW525.48 g/mol
LogP3.24
Rot. Bonds

About 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone

5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone (PubChem CID 25191093) has the molecular formula C30H15N5O5 and a molecular weight of 525.48 g/mol. Its IUPAC name is 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone.

Molecular Properties

Compound Name5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone
PubChem CID25191093
Molecular FormulaC30H15N5O5
Molecular Weight525.48 g/mol
Exact Mass525.11
IUPAC Name5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone
SMILESO=C1Cc2c3c4c(c5c6c(c7c8c(c9c%10c(c(c2c2c4c6c8c%102)N1)CC(=O)N9)CC(=O)N7)CC(=O)N5)CC(=O)N3
InChIInChI=1S/C30H15N5O5/c36-11-1-6-16-21-22-17-7(2-12(37)32-26(6)17)28-19-9(4-14(39)33-28)30-20-10(5-15(40)35-30)29-18(23(21)25(20)24(19)22)8(27(16)31-11)3-13(38)34-29/h1-5H2,(H,31,36)(H,32,37)(H,33,39)(H,34,38)(H,35,40)
InChIKeySVPZJAPITCWKSX-UHFFFAOYSA-N
XLogP3.24
TPSA145.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 53.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone with MolForge

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Related Compounds

3,10,17,24,31-Pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
CID 25191220
Copper;3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
CID 25191862
3,10,17,24,31-Pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
CID 25191863

Frequently Asked Questions

What is the IUPAC name of 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone?
The IUPAC name of 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone (CID 25191093) is 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone.
What is the SMILES notation for 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone?
The canonical SMILES for 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone is O=C1Cc2c3c4c(c5c6c(c7c8c(c9c%10c(c(c2c2c4c6c8c%102)N1)CC(=O)N9)CC(=O)N7)CC(=O)N5)CC(=O)N3.
What is the InChIKey of 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone?
The InChIKey is SVPZJAPITCWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N5O5/c36-11-1-6-16-21-22-17-7(2-12(37)32-26(6)17)28-19-9(4-14(39)33-28)30-20-10(5-15(40)35-30)29-18(23(21)25(20)24(19)22)8(27(16)31-11)3-13(38)34-29/h1-5H2,(H,31,36)(H,32,37)(H,33,39)(H,34,38)(H,35,40).
What are the key properties of 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone?
5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone has a molecular weight of 525.48 g/mol, XLogP of 3.24, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,19,24,29-pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone is sourced from PubChem (CID 25191093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).