6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene

C39H23N — CID 59330330

IUPAC6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene
SMILESC1=CC2c3ccccc3C3=CC=NC(=C1c1cc4c5cccc6c5c(cc4c4ccccc14)-c1ccccc1-6)C32
InChIInChI=1S/C39H23N/c1-2-9-23-22(8-1)30-16-17-32(39-38(30)31(23)18-19-40-39)33-20-35-29-15-7-14-28-24-10-3-6-13-27(24)36(37(28)29)21-34(35)26-12-5-4-11-25(26)33/h1-21,30,38H
InChIKeyOBINCZNZVYYVLZ-UHFFFAOYSA-N
MW505.62 g/mol
LogP9.96
Rot. Bonds1

About 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene

6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene (PubChem CID 59330330) has the molecular formula C39H23N and a molecular weight of 505.62 g/mol. Its IUPAC name is 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene
PubChem CID59330330
Molecular FormulaC39H23N
Molecular Weight505.62 g/mol
Exact Mass505.18
IUPAC Name6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene
SMILESC1=CC2c3ccccc3C3=CC=NC(=C1c1cc4c5cccc6c5c(cc4c4ccccc14)-c1ccccc1-6)C32
InChIInChI=1S/C39H23N/c1-2-9-23-22(8-1)30-16-17-32(39-38(30)31(23)18-19-40-39)33-20-35-29-15-7-14-28-24-10-3-6-13-27(24)36(37(28)29)21-34(35)26-12-5-4-11-25(26)33/h1-21,30,38H
InChIKeyOBINCZNZVYYVLZ-UHFFFAOYSA-N
XLogP9.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene?
The IUPAC name of 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene (CID 59330330) is 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene.
What is the SMILES notation for 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene?
The canonical SMILES for 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene is C1=CC2c3ccccc3C3=CC=NC(=C1c1cc4c5cccc6c5c(cc4c4ccccc14)-c1ccccc1-6)C32.
What is the InChIKey of 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene?
The InChIKey is OBINCZNZVYYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N/c1-2-9-23-22(8-1)30-16-17-32(39-38(30)31(23)18-19-40-39)33-20-35-29-15-7-14-28-24-10-3-6-13-27(24)36(37(28)29)21-34(35)26-12-5-4-11-25(26)33/h1-21,30,38H.
What are the key properties of 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene?
6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene has a molecular weight of 505.62 g/mol, XLogP of 9.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,10,12,14-heptaene is sourced from PubChem (CID 59330330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).