8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene

C64H32N2S4 — CID 146513205

About 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene

8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene (PubChem CID 146513205) has the molecular formula C64H32N2S4 and a molecular weight of 957.24 g/mol. Its IUPAC name is 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene
• PubChem CID: 146513205
• Molecular Formula: C64H32N2S4
• Molecular Weight: 957.24 g/mol
• Exact Mass: 956.14
• IUPAC Name: 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene
• SMILES: c1ccc2c(c1)cn1c2c2ccc3c4cc(-c5ccc6c(c5)sc5c6ccc6c7c(ccc8sc9ccccc9c87)c7c8ccccc8cn7c65)ccc4sc3c2c2ccc3c4ccccc4sc3c21
• InChI: InChI=1S/C64H32N2S4/c1-3-11-37-35(9-1)31-65-58(37)45-26-28-53-57(44-14-6-8-16-51(44)67-53)55(45)46-23-20-42-40-19-17-34(30-54(40)70-64(42)60(46)65)33-18-27-52-49(29-33)43-22-24-47-56(62(43)68-52)48-25-21-41-39-13-5-7-15-50(39)69-63(41)61(48)66-32-36-10-2-4-12-38(36)59(47)66/h1-32H
• InChIKey: PSLSVNZHZQKMHR-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 8.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.24
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene?

The IUPAC name of 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene (CID 146513205) is 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene.

What is the SMILES notation for 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene?

The canonical SMILES for 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene is c1ccc2c(c1)cn1c2c2ccc3c4cc(-c5ccc6c(c5)sc5c6ccc6c7c(ccc8sc9ccccc9c87)c7c8ccccc8cn7c65)ccc4sc3c2c2ccc3c4ccccc4sc3c21.

What is the InChIKey of 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene?

The InChIKey is PSLSVNZHZQKMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H32N2S4/c1-3-11-37-35(9-1)31-65-58(37)45-26-28-53-57(44-14-6-8-16-51(44)67-53)55(45)46-23-20-42-40-19-17-34(30-54(40)70-64(42)60(46)65)33-18-27-52-49(29-33)43-22-24-47-56(62(43)68-52)48-25-21-41-39-13-5-7-15-50(39)69-63(41)61(48)66-32-36-10-2-4-12-38(36)59(47)66/h1-32H.

What are the key properties of 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene?

8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene has a molecular weight of 957.24 g/mol, XLogP of 20.25, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(10,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25(33),27(32),28,30,34-hexadecaen-29-yl)-4,26-dithia-23-azanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5(10),6,8,12,15,17,19,21,25(33),27,29,31,34-hexadecaene is sourced from PubChem (CID 146513205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).