10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]

C45H26N2 — CID 156523710

About 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]

10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine] (PubChem CID 156523710) has the molecular formula C45H26N2 and a molecular weight of 594.72 g/mol. Its IUPAC name is 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine].

Molecular Properties

• Compound Name: 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]
• PubChem CID: 156523710
• Molecular Formula: C45H26N2
• Molecular Weight: 594.72 g/mol
• Exact Mass: 594.21
• IUPAC Name: 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccc4cccc5c4c2N2c4c-5cccc4-c4cccc5ccc3c2c45)cc1
• InChI: InChI=1S/C45H26N2/c1-2-13-29(14-3-1)46-38-21-6-4-19-34(38)45(35-20-5-7-22-39(35)46)36-25-23-27-11-8-15-30-32-17-10-18-33-31-16-9-12-28-24-26-37(45)44(41(28)31)47(42(32)33)43(36)40(27)30/h1-26H
• InChIKey: RYRYDKJOYXHTNA-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.72
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]?

The IUPAC name of 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine] (CID 156523710) is 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine].

What is the SMILES notation for 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]?

The canonical SMILES for 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine] is c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccc4cccc5c4c2N2c4c-5cccc4-c4cccc5ccc3c2c45)cc1.

What is the InChIKey of 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]?

The InChIKey is RYRYDKJOYXHTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2/c1-2-13-29(14-3-1)46-38-21-6-4-19-34(38)45(35-20-5-7-22-39(35)46)36-25-23-27-11-8-15-30-32-17-10-18-33-31-16-9-12-28-24-26-37(45)44(41(28)31)47(42(32)33)43(36)40(27)30/h1-26H.

What are the key properties of 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]?

10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine] has a molecular weight of 594.72 g/mol, XLogP of 11.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine] is sourced from PubChem (CID 156523710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).