10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine

C64H38N8O2 — CID 156672850

About 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine

10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine (PubChem CID 156672850) has the molecular formula C64H38N8O2 and a molecular weight of 951.06 g/mol. Its IUPAC name is 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine
• PubChem CID: 156672850
• Molecular Formula: C64H38N8O2
• Molecular Weight: 951.06 g/mol
• Exact Mass: 950.31
• IUPAC Name: 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine
• SMILES: c1ccc(-c2cnc3c(n2)c2cccc4c5cccc6c7nccnc7n(c(=C(c7ccc(N8c9ccccc9Oc9ccccc98)cc7)c7ccc(N8c9ccccc9Oc9ccccc98)cc7)n3c42)c56)cc1
• InChI: InChI=1S/C64H38N8O2/c1-2-14-39(15-3-1)48-38-67-63-59(68-48)47-19-13-17-45-44-16-12-18-46-58-62(66-37-36-65-58)71(60(44)46)64(72(63)61(45)47)57(40-28-32-42(33-29-40)69-49-20-4-8-24-53(49)73-54-25-9-5-21-50(54)69)41-30-34-43(35-31-41)70-51-22-6-10-26-55(51)74-56-27-11-7-23-52(56)70/h1-38H
• InChIKey: LKCQKSJYFUWFGG-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 85.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.06
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine (CID 156672850) is 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine is c1ccc(-c2cnc3c(n2)c2cccc4c5cccc6c7nccnc7n(c(=C(c7ccc(N8c9ccccc9Oc9ccccc98)cc7)c7ccc(N8c9ccccc9Oc9ccccc98)cc7)n3c42)c56)cc1.

What is the InChIKey of 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine?

The InChIKey is LKCQKSJYFUWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N8O2/c1-2-14-39(15-3-1)48-38-67-63-59(68-48)47-19-13-17-45-44-16-12-18-46-58-62(66-37-36-65-58)71(60(44)46)64(72(63)61(45)47)57(40-28-32-42(33-29-40)69-49-20-4-8-24-53(49)73-54-25-9-5-21-50(54)69)41-30-34-43(35-31-41)70-51-22-6-10-26-55(51)74-56-27-11-7-23-52(56)70/h1-38H.

What are the key properties of 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine?

10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine has a molecular weight of 951.06 g/mol, XLogP of 15.17, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[(4-phenoxazin-10-ylphenyl)-(9-phenyl-8,11,13,15,17,20-hexazaheptacyclo[13.10.1.12,6.07,12.016,21.022,26.013,27]heptacosa-1(26),2(27),3,5,7,9,11,16,18,20,22,24-dodecaen-14-ylidene)methyl]phenyl]phenoxazine is sourced from PubChem (CID 156672850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).